SCHEMBL16136298

SCHEMBL16136298

COc1ccc(Cn2ccnc2CNC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 2/20 0.55
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
NR3C1 P04150 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP13 P45452 1/20 0.43

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
SCHEMBL16136340 0.88 SMN1; SMN2 (0.59) HSP90B1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL16133636 0.87 HSP90B1 (0.53) HSP90B1POLBSMN1; SMN2CYP1A2CYP2D6
SCHEMBL16136364 0.86 HSP90B1 (0.52) HSP90B1SMN1; SMN2CYP1A2CYP2C19NR3C1
SCHEMBL16136331 0.86 SMN1; SMN2 (0.51) HSP90B1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL16136367 0.84 HTT (0.40) HSP90B1SMN1; SMN2HSP90AA1
SCHEMBL16136363 0.84 LMNA (0.51) HSP90B1POLBKMT2ATP53HSP90AA1
SCHEMBL16136235 0.78 BRD4 (0.47) HSP90B1TP53MAPTHSP90AA1
SCHEMBL16133647 0.78 HSP90B1 (0.56) HSP90B1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL10505718 0.78 CYP1A2 (0.51) HSP90B1POLBSMN1; SMN2CYP1A2CYP2D6
SCHEMBL16136366 0.78 HSP90AA1 (0.53) HSP90B1SMN1; SMN2KMT2ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 HSP90B1 2912/4885POLB 3322/4885SMN1; SMN2 4624/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90B1 2912/4885POLB 3322/4885SMN1; SMN2 4624/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90B1 2912/4885POLB 3322/4885SMN1; SMN2 4624/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSP90B1 2912/4885POLB 3322/4885SMN1; SMN2 4624/4885

“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.