SCHEMBL2354832

SCHEMBL2354832

COc1cc(-c2cnn(C)c2)cn2ncc(CNc3c(C)nn(C)c3C)c12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 13/20 0.36
ERN1 O75460 1/20 0.36
PGK1 P00558 1/20 0.36
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
LRRK2 Q5S007 2/20 0.34
NMT1 P30419 1/20 0.33
SHMT2 P34897 1/20 0.33

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
SCHEMBL1906737 0.81 FGFR3 (0.41) RETERN1PGK1FGFR3KDR
SCHEMBL2355401 0.80 RET (0.42) RET
SCHEMBL2354627 0.79 FGFR3 (0.44) RETFGFR3KDR
SCHEMBL2353665 0.79 FGFR3 (0.44) RETERN1FGFR3KDR
SCHEMBL2351985 0.78 PDE1A (0.38) RETFGFR3KDR
SCHEMBL12461824 0.78 ERN1 (0.39) RETERN1LRRK2
SCHEMBL1907654 0.78 RET (0.53) RETERN1
SCHEMBL1908465 0.78 FGFR3 (0.37) RETERN1PGK1FGFR3KDR
SCHEMBL1908114 0.78 FGFR3 (0.39) RETERN1FGFR3KDR
SCHEMBL1906149 0.77 LRRK2 (0.42) RETFGFR3KDRLRRK2

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 RET 79/4885ERN1 1096/4885PGK1 284/4885

“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.