SCHEMBL1908114

SCHEMBL1908114

COc1cc(-c2cnn(C)c2)cn2ncc(CNc3cnccn3)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
RET P07949 10/20 0.38
TTK P33981 3/20 0.37
ACVR2A P27037 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
FYN P06241 2/20 0.36
ERN1 O75460 1/20 0.36
KIT P10721 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
SCHEMBL1906149 0.83 LRRK2 (0.42) FGFR3KDRRETJAK2FYN
SCHEMBL1906737 0.82 FGFR3 (0.41) FGFR3KDRRETTTKACVR2A
SCHEMBL1906084 0.82 RET (0.39) FGFR3KDRRETTTKACVR2A
SCHEMBL2351985 0.82 PDE1A (0.38) FGFR3KDRRETTTKACVR2A
SCHEMBL1907801 0.82 TTK (0.37) FGFR3KDRRETTTK
SCHEMBL1908240 0.80 FGFR3 (0.44) FGFR3KDRRETTTKACVR2A
SCHEMBL2355401 0.80 RET (0.42) RETTTK
SCHEMBL2352858 0.80 RET (0.43) FGFR3KDRRETTTKERN1
SCHEMBL2347246 0.79 LRRK2 (0.42) RETTTK
SCHEMBL2353033 0.79 RET (0.45) FGFR3KDRRETACVR2AJAK2

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 FGFR3 35/4885KDR 1534/4885RET 79/4885

“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.