SCHEMBL2351985

SCHEMBL2351985

COc1cc(-c2cnn(C)c2)cn2ncc(CNc3cnccc3C)c12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
TTK P33981 9/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
ACVR2A P27037 1/20 0.38
RET P07949 8/20 0.37
FGFR3 P22607 1/20 0.36
KDR P35968 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
SCHEMBL1907801 0.88 TTK (0.37) PDE1APDE1BPDE1CTTKCCNA2
SCHEMBL2347246 0.85 LRRK2 (0.42) PDE1APDE1BPDE1CTTKCCNA2
SCHEMBL2355401 0.85 RET (0.42) TTKCCNA2CDK2RET
SCHEMBL1906149 0.83 LRRK2 (0.42) RETFGFR3KDR
SCHEMBL1908114 0.82 FGFR3 (0.39) TTKACVR2ARETFGFR3KDR
SCHEMBL2352858 0.82 RET (0.43) TTKCCNA2CDK2RETFGFR3
SCHEMBL1906737 0.81 FGFR3 (0.41) TTKACVR2ARETFGFR3KDR
SCHEMBL1907029 0.81 RET (0.40) RET
SCHEMBL1904484 0.80 FLT1 (0.45) PDE1APDE1BPDE1CTTKCCNA2
SCHEMBL2354627 0.80 FGFR3 (0.44) TTKACVR2ARETFGFR3KDR

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 9 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

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 PDE1A 2823/4885PDE1B 2269/4885PDE1C 3081/4885

“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.