SCHEMBL4713013

SCHEMBL4713013

CCOC(=O)c1cnc(Cl)nc1Nc1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.63
NPSR1 Q6W5P4 3/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
MAPT P10636 7/20 0.55
LMNA P02545 2/20 0.55
XBP1 P17861 1/20 0.53
RAB9A P51151 1/20 0.53
NPC1 O15118 2/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SIRT5 Q9NXA8 1/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.49
BRD4 O60885 1/20 0.48
ZAP70 P43403 1/20 0.46

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
SCHEMBL30892315 0.90 SYK (0.64) SYKSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL6641476 0.90 SYK (0.64) SYKSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL30878977 0.89 NPSR1 (0.65) SYKSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL2627347 0.89 SYK (0.60) SYKSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL2386230 0.86 SYK (0.59) SYKSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL2633030 0.85 SYK (0.57) SYKSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL2627315 0.85 SYK (0.60) SYKSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL12942870 0.84 SYK (0.64) SYKSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL13495931 0.84 SYK (0.59) SYKSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL655545 0.84 SYK (0.59) SYKSMN1; SMN2NPSR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-1054004-B1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-07-16 EP disclosed
US-6432963-B1 ANTIINFLAMMATORY AGENTS; TYROSINE KINASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-08-13 US disclosed
EP-1054004-A1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-11-22 EP 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 (2 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-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK SYK 1/4885SMN1; SMN2 3771/4885NPSR1 4344/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885SMN1; SMN2 3606/4885NPSR1 3747/4885

“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.