SCHEMBL1903502

SCHEMBL1903502

COc1cc(-c2cnn(C)c2)cn2ncc(-c3ccc(-c4ccncc4)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.50
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50
BMP4 P12644 1/20 0.50
ACVR2A P27037 3/20 0.45
TTK P33981 1/20 0.45
RET P07949 8/20 0.43
GAK O14976 1/20 0.43
TGFBR2 P37173 2/20 0.42

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
SCHEMBL1901971 0.89 KDR (0.49) KDRFLT1FLT4ACVR2ARET
SCHEMBL12461799 0.88 RET (0.48) KDRFLT1FLT4BMP4RET
SCHEMBL12461830 0.88 ERN1 (0.47) ACVR2ATTKRETGAKTGFBR2
SCHEMBL13509615 0.87 GAK (0.44) ACVR2ARETGAK
SCHEMBL12461307 0.86 ERN1 (0.48) ACVR2ARETGAKTGFBR2
SCHEMBL12461791 0.85 KDR (0.49) KDRACVR2ARETGAK
SCHEMBL2354668 0.84 RET (0.53) RET
SCHEMBL1907353 0.84 KDR (0.48) KDRACVR2ARETGAK
SCHEMBL12461301 0.83 ACVR2A (0.53) ACVR2ATTKRETTGFBR2
SCHEMBL12461272 0.83 RET (0.49) RETGAK

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 KDR 1534/4885FLT1 2349/4885FLT4 1835/4885

“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.