SCHEMBL18356613

SCHEMBL18356613

Cc1cc(C)n2ccc(C(=O)Nc3ccc(-c4cn(CCOCCOCCC(=O)ON5C(=O)CCC5=O)nn4)cc3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.37
▸ SNCA P37840 1/20 0.34
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ EP300 Q09472 4/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ GBA1 P04062 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL19522211 0.95 NAMPT (0.35) NAMPTSNCAPIK3CDPIK3CAEP300
SCHEMBL18357099 0.91 NAMPT (0.41) NAMPTEP300HDAC3HDAC4HDAC1
SCHEMBL18356839 0.90 EP300 (0.41) NAMPTEP300HDAC3HDAC4HDAC1
SCHEMBL18357100 0.90 EP300 (0.41) NAMPTEP300HDAC3HDAC4HDAC1
SCHEMBL21013143 0.88 NAMPT (0.36) NAMPTSNCAPIK3CDPIK3CAEP300
SCHEMBL19522203 0.86 NAMPT (0.39) NAMPTEP300HDAC3HDAC4HDAC1
SCHEMBL19522210 0.86 NAMPT (0.40) NAMPTSNCAPIK3CDPIK3CARXFP1
SCHEMBL19522212 0.86 NAMPT (0.40) NAMPTSNCAPIK3CDPIK3CARXFP1
SCHEMBL19522204 0.86 EP300 (0.39) NAMPTEP300HDAC3HDAC4HDAC1
SCHEMBL19522209 0.86 EP300 (0.39) NAMPTEP300HDAC3HDAC4HDAC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442812-B2 Substituted 4-methyl-pyrrolo[1,2-a]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-10-15 — — US disclosed
US-20190152980-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2019-05-23 — — US disclosed
US-10227352-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-03-12 — — 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-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-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
WO-2017004408-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 — — WO 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 (6 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 NAMPT 519/4885SNCA 85/4885PIK3CD 767/4885
US-10227352-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 NAMPT 519/4885SNCA 85/4885PIK3CD 767/4885
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 NAMPT 519/4885SNCA 85/4885PIK3CD 767/4885
US-20170002013-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 NAMPT 519/4885SNCA 85/4885PIK3CD 767/4885
US-20190152980-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 NAMPT 519/4885SNCA 85/4885PIK3CD 767/4885
US-10442812-B2 Substituted 4-methyl-pyrrolo[1,2-a]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 NAMPT 519/4885SNCA 85/4885PIK3CD 767/4885

“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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