SCHEMBL12252017

SCHEMBL12252017

COC(=O)CCn1cc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.56
KDR P35968 18/20 0.56
AURKA O14965 1/20 0.48
FPR1 P21462 1/20 0.48
FPR3 P25089 1/20 0.48
GPR183 P32249 1/20 0.48
SMO Q99835 1/20 0.48
GPR35 Q9HC97 1/20 0.48
MST1R Q04912 4/20 0.48

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
SCHEMBL12252274 0.92 MET (0.54) METKDRAURKAFPR1FPR3
SCHEMBL12252153 0.90 MET (0.55) METKDRAURKAFPR1FPR3
SCHEMBL12288378 0.90 MET (0.56) METKDRAURKAFPR1FPR3
SCHEMBL14873306 0.90 MET (0.54) METKDRAURKAFPR1FPR3
SCHEMBL12252150 0.90 MET (0.56) METKDRAURKAFPR1FPR3
SCHEMBL14857662 0.90 MET (0.54) METKDRAURKAFPR1FPR3
SCHEMBL12285890 0.89 MET (0.55) METKDRAURKAFPR1FPR3
SCHEMBL12288379 0.89 MET (0.58) METKDRAURKAFPR1FPR3
SCHEMBL2532252 0.89 MET (0.56) METKDRAURKAFPR1FPR3
SCHEMBL12252271 0.89 MET (0.52) METKDRAURKAFPR1FPR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US 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 (2 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 MET 138/4885KDR 5/4885AURKA 453/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 MET 49/4885KDR 2/4885AURKA 584/4885

“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.