SCHEMBL3765192

SCHEMBL3765192

O=C(Nc1cccc(Nc2ncnc3[nH]ccc(=O)c23)c1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.56
▸ RET P07949 1/20 0.56
▸ BRAF P15056 2/20 0.55
▸ MAPK14 Q16539 2/20 0.55
▸ TNNI3K Q59H18 2/20 0.55
▸ NTRK1 P04629 1/20 0.52
▸ NTRK3 Q16288 1/20 0.52
▸ NTRK2 Q16620 1/20 0.52
▸ EGFR P00533 4/20 0.52
▸ CDK8 P49336 2/20 0.50
▸ AURKB Q96GD4 2/20 0.49
▸ KIT P10721 1/20 0.49
▸ SYK P43405 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ FLT1 P17948 1/20 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
SCHEMBL3762938 0.95 RET (0.60) KDRRETBRAFMAPK14TNNI3K
SCHEMBL3761531 0.91 KDR (0.53) KDRRETBRAFMAPK14TNNI3K
SCHEMBL3762134 0.91 KDR (0.52) KDRRETBRAFMAPK14TNNI3K
SCHEMBL3760992 0.89 KDR (0.53) KDRRETBRAFMAPK14TNNI3K
SCHEMBL3762349 0.85 FLT3 (0.49) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL3763767 0.82 NTRK1 (0.51) KDRRETBRAFMAPK14TNNI3K
SCHEMBL3768314 0.82 EGFR (0.46) KDRRETBRAFTNNI3KNTRK1
SCHEMBL3767943 0.81 FLT3 (0.53) KDRRETBRAFMAPK14TNNI3K
SCHEMBL3761347 0.81 CA12 (0.52) KDRRETBRAFMAPK14NTRK1
SCHEMBL3767827 0.79 CDK8 (0.50) KDRRETNTRK1NTRK3NTRK2

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
EP-1809629-B1 N,N'-diphenyl urea derivatives suitable for the treatment of tumours, eye diseases, inflammation and diseases of the immune system MERCK PATENT GMBH (DE) 2012-06-13 — — EP claimed
US-7846927-B2 N,N′-diphenylurea derivatives suitable as kinase inhibitors MERCK PATENT GMBH (DE) 2010-12-07 — — US claimed
US-20070293488-A1 tyrosine kinase inhibitors such as 1-(2-fluoro-5-trifluoromethylphenyl)-3-[4-(5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-4-ylamino)phenyl]urea, used as antitumor or anticarcinogenic agents or for the treatment of psoriasis, arthritis, retinopathy or dermatitis MERCK PATENT GMBH (DE) 2007-12-20 — — US claimed
US-7846927-B2 N,N′-diphenylurea derivatives suitable as kinase inhibitors MERCK PATENT GMBH (DE) 2010-12-07 — — US disclosed
US-20070293488-A1 tyrosine kinase inhibitors such as 1-(2-fluoro-5-trifluoromethylphenyl)-3-[4-(5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-4-ylamino)phenyl]urea, used as antitumor or anticarcinogenic agents or for the treatment of psoriasis, arthritis, retinopathy or dermatitis MERCK PATENT GMBH (DE) 2007-12-20 — — 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 (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-20070293488-A1 tyrosine kinase inhibitors such as 1-(2-fluoro-5-trifluoromethylphenyl)-3-[4-(5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-4-ylamino)phenyl]urea, used as antitumor or anticarcinogenic agents or for the treatment of psoriasis, arthritis, retinopathy or dermatitis TIE1, FLT1, FER KDR 6/4885RET 4/4885BRAF 10/4885

“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.

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