SCHEMBL14723503

SCHEMBL14723503

CNC(=O)c1ccccc1Nc1c(C(F)(F)F)cnc2c1cc(-c1ccc(N3CCOCC3)nc1)n2COCC[Si](C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.66
MAPK10 P53779 10/20 0.49
MAPK9 P45984 8/20 0.49
MAPK8 P45983 1/20 0.38
WDR5 P61964 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL14722176 0.80 DGAT1 (0.41) PTK2
SCHEMBL14722939 0.80 PTK2 (1.00) PTK2MAPK10MAPK9WDR5FGFR1
SCHEMBL14733063 0.73 PTK2 (1.00) PTK2MAPK10MAPK9FGFR1
SCHEMBL17289994 0.71 CNR2 (0.43)
SCHEMBL16967473 0.68 PTK2 (0.80) PTK2MAPK10MAPK9MAPK8FGFR1
SCHEMBL14732949 0.67 PTK2 (0.78) PTK2MAPK10MAPK9MAPK8FGFR1
SCHEMBL1231775 0.67 MAPK10 (1.00) PTK2MAPK10MAPK9
SCHEMBL1231705 0.66 MAPK10 (0.85) PTK2MAPK10MAPK9
SCHEMBL31271222 0.66 JAK2 (0.42)
SCHEMBL1232329 0.65 MAPK10 (0.85) PTK2MAPK10MAPK9

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-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
EP-2748164-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Merck Patent GmbH (DE) 2014-07-02 EP disclosed
WO-2013026516-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-02-28 WO disclosed
WO-2013026516-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-02-28 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-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS CDK1, CDK2, CDK4 PTK2 1291/4885MAPK10 729/4885MAPK9 588/4885

“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.