SCHEMBL1906149

SCHEMBL1906149

COc1cc(-c2cnn(C)c2)cn2ncc(CNc3cccnc3)c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.42
PDE4B Q07343 3/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
JAK2 O60674 1/20 0.40
PTK2 Q05397 1/20 0.40
RET P07949 7/20 0.39
FYN P06241 2/20 0.39
DYRK1A Q13627 1/20 0.39
HTR2C P28335 1/20 0.37
ALOX12 P18054 1/20 0.37

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 0.88 FGFR3 (0.41) FGFR3KDRRET
SCHEMBL2354627 0.86 FGFR3 (0.44) FGFR3KDRJAK2PTK2RET
SCHEMBL2353033 0.84 RET (0.45) FGFR3KDRJAK2PTK2RET
SCHEMBL1908376 0.84 FYN (0.42) FGFR3KDRRETFYN
SCHEMBL2353665 0.84 FGFR3 (0.44) FGFR3KDRRET
SCHEMBL13509608 0.83 FGFR3 (0.44) FGFR3KDRRET
SCHEMBL2350172 0.83 FGFR3 (0.44) FGFR3KDRRET
SCHEMBL2355401 0.83 RET (0.42) RET
SCHEMBL1906084 0.83 RET (0.39) FGFR3KDRRETFYN
SCHEMBL2351985 0.83 PDE1A (0.38) FGFR3KDRRET

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 LRRK2 129/4885PDE4B 3137/4885FGFR3 35/4885

“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.