SCHEMBL1908376

SCHEMBL1908376

COc1cc(-c2cnn(C)c2)cn2ncc(CNc3cccc(NC(C)=O)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.42
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
BRAF P15056 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
PIK3CG P48736 1/20 0.39
PAX8 Q06710 1/20 0.39
AURKB Q96GD4 2/20 0.39
RET P07949 3/20 0.39
MAPK1 P28482 1/20 0.39
KLK7 P49862 1/20 0.38
POLB P06746 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL1906149 0.84 LRRK2 (0.42) FYNFGFR3KDRRET
SCHEMBL2350172 0.81 FGFR3 (0.44) AAK1FGFR3KDRRET
SCHEMBL2354627 0.81 FGFR3 (0.44) FGFR3KDRRET
SCHEMBL2353033 0.81 RET (0.45) FGFR3KDRPIK3CGRET
SCHEMBL1898827 0.80 CSF1R (0.47) FYNCCNCCDK8PIK3CGRET
SCHEMBL2353665 0.80 FGFR3 (0.44) AAK1FGFR3KDRPIK3CGRET
SCHEMBL1906737 0.80 FGFR3 (0.41) FGFR3KDRRET
SCHEMBL1908240 0.80 FGFR3 (0.44) FGFR3KDRRET
SCHEMBL13509608 0.80 FGFR3 (0.44) AAK1FGFR3KDRPIK3CGRET
SCHEMBL1907029 0.80 RET (0.40) RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US claimed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US claimed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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 (1 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 FYN 189/4885CCNC 1558/4885CDK8 304/4885

“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.