SCHEMBL20337386

SCHEMBL20337386

Cc1cc(C)n2ccc(C(=O)NC3CCC(OC4CCC4)CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
POLB P06746 3/20 0.49
RAB9A P51151 2/20 0.42
HPGD P15428 3/20 0.41
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TYK2 P29597 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CD38 P28907 3/20 0.38
HSD17B10 Q99714 2/20 0.38
POLR1A O95602 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CRHR1 P34998 1/20 0.38

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
SCHEMBL17743056 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBRAB9AHPGD
SCHEMBL20337462 0.98 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBRAB9AHPGD
SCHEMBL17743069 0.98 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBRAB9AHPGD
SCHEMBL17742719 0.97 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBRAB9AHPGD
SCHEMBL20337480 0.97 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBRAB9AHPGD
SCHEMBL21757546 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBRAB9AHPGD
SCHEMBL20337449 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBRAB9AHPGD
SCHEMBL17743175 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBRAB9AHPGD
SCHEMBL17743178 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBRAB9AHPGD
SCHEMBL20337437 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBRAB9AHPGD

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 8 patents. 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-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-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
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-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

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

For each of this compound's patents that has machine-readable text (5 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-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP ALDH1A1 1739/4885KDM4E 926/4885POLB 47/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP ALDH1A1 1739/4885KDM4E 926/4885POLB 47/4885
US-10751341-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP ALDH1A1 1739/4885KDM4E 926/4885POLB 47/4885
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP ALDH1A1 1739/4885KDM4E 926/4885POLB 47/4885
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP ALDH1A1 1739/4885KDM4E 926/4885POLB 47/4885

“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.