SCHEMBL3763784

SCHEMBL3763784

COc1ccc(NC(=O)Nc2ccc(Nc3ncnc4[nH]ccc(=O)c34)cc2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.47
▸ BRAF P15056 4/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ NTRK3 Q16288 1/20 0.46
▸ NTRK2 Q16620 1/20 0.46
▸ KIT P10721 2/20 0.46
▸ TOP2B Q02880 1/20 0.44
▸ CDK8 P49336 1/20 0.43
▸ RET P07949 2/20 0.43
▸ EGFR P00533 2/20 0.43

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
SCHEMBL3763732 0.88 NTRK1 (0.43) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL3767827 0.87 CDK8 (0.50) KDRNTRK1NTRK3NTRK2KIT
SCHEMBL3768545 0.87 BRAF (0.51) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL3762266 0.86 KIT (0.62) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL9903598 0.85 BRAF (0.52) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL9946550 0.83 NTRK1 (0.39) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL3762938 0.81 RET (0.60) KDRBRAFNTRK1NTRK3NTRK2
SCHEMBL9903084 0.81 BRAF (0.58) KDRBRAFRAF1RETEGFR
SCHEMBL3767943 0.79 FLT3 (0.53) KDRBRAFNTRK1NTRK3NTRK2
SCHEMBL3763767 0.79 NTRK1 (0.51) KDRBRAFNTRK1NTRK3NTRK2

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 3 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

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 6/4885BRAF 10/4885RAF1 12/4885

“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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