SCHEMBL2353033

SCHEMBL2353033

COc1ccc(NCc2cnn3cc(-c4cnn(C)c4)cc(OC)c23)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 14/20 0.45
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
NTRK1 P04629 2/20 0.41
CSF1R P07333 2/20 0.41
NTRK2 Q16620 2/20 0.41
ACVR2A P27037 1/20 0.40
JAK2 O60674 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL2354627 0.90 FGFR3 (0.44) RETFGFR3KDRACVR2AJAK2
SCHEMBL13509608 0.89 FGFR3 (0.44) RETFGFR3KDRPIK3CDPIK3CA
SCHEMBL2350172 0.89 FGFR3 (0.44) RETFGFR3KDR
SCHEMBL1907552 0.87 RET (0.45) RETFGFR3KDR
SCHEMBL2353665 0.86 FGFR3 (0.44) RETFGFR3KDRPIK3CDPIK3CA
SCHEMBL1906149 0.84 LRRK2 (0.42) RETFGFR3KDRJAK2PTK2
SCHEMBL1906737 0.84 FGFR3 (0.41) RETFGFR3KDRACVR2A
SCHEMBL1908240 0.83 FGFR3 (0.44) RETFGFR3KDRACVR2A
SCHEMBL1908395 0.82 FGFR3 (0.47) RETFGFR3KDRNTRK1NTRK2
SCHEMBL2355340 0.81 FGFR3 (0.46) RETFGFR3KDRNTRK1NTRK2

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

“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.