SCHEMBL16136258

SCHEMBL16136258

CC(=O)NCc1cc(C)nn1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
SETDB1 Q15047 4/20 0.39
ALOX15 P16050 1/20 0.39
DAO P14920 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
SYK P43405 1/20 0.37
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL13736836 0.88 P2RX7 (0.45) P2RX7SMN1; SMN2MAPK1DAOKMT2A
SCHEMBL23576608 0.85 P2RX7 (0.43) P2RX7SMN1; SMN2MAPK1DAOKMT2A
SCHEMBL21081439 0.83 P2RX7 (0.48) P2RX7SMN1; SMN2MAPK1DAOKMT2A
SCHEMBL22722102 0.82 P2RX7 (0.44) P2RX7SMN1; SMN2MAPK1DAOKMT2A
SCHEMBL16133693 0.82 P2RX7 (0.42) P2RX7SMN1; SMN2MAPK1DAOKMT2A
SCHEMBL16441375 0.81 NPSR1 (0.39) NPSR1SETDB1ALOX15KMT2AALDH1A1
SCHEMBL22459094 0.80 P2RX7 (0.40) P2RX7SMN1; SMN2MAPK1DAOKMT2A
SCHEMBL17796471 0.79 SETDB1 (0.40) NPSR1SETDB1ALOX15KMT2AALDH1A1
SCHEMBL20353295 0.77 SMN1; SMN2 (0.43) P2RX7SMN1; SMN2MAPK1DAOKMT2A
SCHEMBL2077294 0.76 SMN1; SMN2 (0.42) P2RX7SMN1; SMN2MAPK1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020186199-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-17 WO disclosed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO 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 P2RX7 852/4885SMN1; SMN2 4624/4885MAPK1 4815/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 P2RX7 852/4885SMN1; SMN2 4624/4885MAPK1 4815/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 P2RX7 852/4885SMN1; SMN2 4624/4885MAPK1 4815/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 P2RX7 852/4885SMN1; SMN2 4624/4885MAPK1 4815/4885

“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.