SCHEMBL2355340

SCHEMBL2355340

COc1cc(-c2cnn(C)c2)cn2ncc(CNc3ccc4cc[nH]c4c3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RET P07949 5/20 0.37
PRKCQ Q04759 2/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
SYK P43405 1/20 0.37
TTK P33981 4/20 0.35
APAF1 O14727 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL2351994 0.85 KDM4E (0.44) FGFR3KDRKDM4EALDH1A1MAPT
SCHEMBL2353690 0.85 GAA (0.49) FGFR3KDRKDM4EALDH1A1MAPT
SCHEMBL1908395 0.84 FGFR3 (0.47) FGFR3KDRKDM4EMAPTHSD17B10
SCHEMBL2353665 0.83 FGFR3 (0.44) FGFR3KDRRETNTRK1NTRK2
SCHEMBL2353033 0.81 RET (0.45) FGFR3KDRRETNTRK1NTRK2
SCHEMBL2354627 0.81 FGFR3 (0.44) FGFR3KDRRETTTKACVR2A
SCHEMBL1906737 0.81 FGFR3 (0.41) FGFR3KDRRETTTKACVR2A
SCHEMBL2350172 0.80 FGFR3 (0.44) FGFR3KDRRET
SCHEMBL1908240 0.80 FGFR3 (0.44) FGFR3KDRRETTTKCCNA2
SCHEMBL13509608 0.80 FGFR3 (0.44) FGFR3KDRRETNTRK1NTRK2

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-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
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 FGFR3 35/4885KDR 1534/4885KDM4E 1778/4885

“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.