SCHEMBL18357160

SCHEMBL18357160

Cc1cc(C)n2ccc(C(=O)NC3CCc4ccccc43)c2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ SPR P35270 2/20 0.54
▸ PDE2A O00408 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ CHRM4 P08173 2/20 0.48
▸ TAS1R3 Q7RTX0 5/20 0.47
▸ TAS1R1 Q7RTX1 5/20 0.47
▸ TAS1R2 Q8TE23 5/20 0.47
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17743195 1.00 ALDH1A1 (0.55) ALDH1A1SPRPDE2AKDM4ECHRM4
SCHEMBL19579164 1.00 ALDH1A1 (0.55) ALDH1A1SPRPDE2AKDM4ECHRM4
SCHEMBL19579149 0.94 KDM4E (0.59) ALDH1A1SPRKDM4ETAS1R3TAS1R1
SCHEMBL17743289 0.94 KDM4E (0.59) ALDH1A1SPRKDM4ETAS1R3TAS1R1
SCHEMBL19555629 0.94 KDM4E (0.59) ALDH1A1SPRKDM4ETAS1R3TAS1R1
SCHEMBL19555656 0.93 KDM4E (0.56) ALDH1A1SPRKDM4ETAS1R3TAS1R1
SCHEMBL17743182 0.85 ALDH1A1 (0.40) ALDH1A1SPRPDE2AKDM4ECHRM4
SCHEMBL17743166 0.85 KDM4E (0.58) ALDH1A1SPRKDM4ETAS1R3TAS1R1
SCHEMBL17742792 0.84 BRD4 (0.44) ALDH1A1SPRKDM4ETAS1R3TAS1R1
SCHEMBL17743217 0.83 MTNR1A (0.51) ALDH1A1KDM4ECHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 — — US disclosed
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 — — US disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 — — US disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 — — US disclosed
EP-3317282-B1 SUBSTITUTED 4-METHYL-PYRROLO[1.2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY UNIV NORTHWESTERN (US) 2020-12-09 — — EP disclosed
US-10751341-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2020-08-25 — — US disclosed
US-10751341-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2020-08-25 — — US disclosed
EP-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 — — EP disclosed
EP-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 — — EP disclosed
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2020-01-30 — — US disclosed
US-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2018-08-07 — — US disclosed
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2018-07-05 — — US disclosed
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2018-07-05 — — US disclosed
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2018-07-05 — — US disclosed
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2018-02-08 — — US disclosed
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2018-02-08 — — US disclosed
US-9802942-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2017-10-31 — — US disclosed
US-9802942-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2017-10-31 — — US disclosed
US-20170002013-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 — — US disclosed
US-20170002013-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 ALDH1A1 2316/4885SPR 1520/4885PDE2A 675/4885
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP ALDH1A1 1739/4885SPR 4427/4885PDE2A 380/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP ALDH1A1 1739/4885SPR 4427/4885PDE2A 380/4885
US-10751341-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP ALDH1A1 1739/4885SPR 4427/4885PDE2A 380/4885
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP ALDH1A1 1739/4885SPR 4427/4885PDE2A 380/4885
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP ALDH1A1 1739/4885SPR 4427/4885PDE2A 380/4885
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 ALDH1A1 2316/4885SPR 1520/4885PDE2A 675/4885
US-20170002013-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 ALDH1A1 2316/4885SPR 1520/4885PDE2A 675/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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