SCHEMBL16133642

SCHEMBL16133642

Cc1cn(Cc2ccccc2)c(CNC(=O)C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CYP19A1 P11511 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
RIPK1 Q13546 1/20 0.42
MAPK1 P28482 2/20 0.41
CFTR P13569 1/20 0.41
BRD4 O60885 1/20 0.41
P2RX7 Q99572 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRK1 P41145 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
KLKB1 P03952 1/20 0.39

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
SCHEMBL16136238 0.86 CYP19A1 (0.48) CYP19A1L3MBTL1POLBSMN1; SMN2BRD4
SCHEMBL16133627 0.79 MEN1 (0.50) MAPTPOLBALDH1A1KMT2A
SCHEMBL16133641 0.75 MAPT (0.46) MAPTL3MBTL1POLBSMN1; SMN2RIPK1
SCHEMBL9786781 0.73 CYP19A1 (0.61) CYP19A1SMN1; SMN2BRD4P2RX7KDM4E
SCHEMBL2337941 0.73 PDE10A (0.47) MAPTCYP19A1POLBBRD4ALDH1A1
SCHEMBL1516186 0.73 RIPK1 (0.71) POLBSMN1; SMN2RIPK1ALDH1A1NPC1
SCHEMBL19111414 0.72 BRD4 (0.47) CYP19A1BRD4P2RX7KDM4ELMNA
SCHEMBL28710551 0.71 NOTUM (0.50) CYP19A1POLBSMN1; SMN2BRD4P2RX7
SCHEMBL16133635 0.70 HSP90AA1 (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1929653 0.69 HDAC10 (0.45) POLBMAPK1BRD4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-01-08 US disclosed
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 US disclosed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-11-10 US disclosed
US-9365570-B2 Substituted 6, 5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 US disclosed
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-03 US disclosed
US-9045477-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-06-02 US disclosed
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-10-02 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 (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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885CYP19A1 51/4885L3MBTL1 4404/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885CYP19A1 51/4885L3MBTL1 4404/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885CYP19A1 51/4885L3MBTL1 4404/4885
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, PAICS, CYP4B1 MAPT 4172/4885CYP19A1 51/4885L3MBTL1 4404/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 MAPT 4172/4885CYP19A1 51/4885L3MBTL1 4404/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 MAPT 4172/4885CYP19A1 51/4885L3MBTL1 4404/4885

“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.