SCHEMBL3767915

SCHEMBL3767915

CN1CCC(COc2ccc(C(F)(F)F)cc2NC(=O)Nc2ccc(Nc3ncnc4[nH]ccc(=O)c34)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.43
▸ RAF1 P04049 2/20 0.43
▸ ARAF P10398 2/20 0.43
▸ KDR P35968 11/20 0.42
▸ IDH2 P48735 2/20 0.39
▸ SCN8A Q9UQD0 2/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KIT P10721 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
SCHEMBL3767003 0.91 BRAF (0.42) BRAFRAF1ARAFKDR
SCHEMBL3768545 0.77 BRAF (0.51) BRAFRAF1KDRAURKA
SCHEMBL3760992 0.77 KDR (0.53) BRAFKDRKIT
SCHEMBL3834284 0.76 RET (0.43) BRAFRAF1KDRIDH2AURKA
SCHEMBL9902789 0.76 EPHX2 (0.54) BRAFRAF1KDRAURKAPDGFRA
SCHEMBL9903598 0.73 BRAF (0.52) BRAFRAF1ARAFKDRAURKA
SCHEMBL3761347 0.72 CA12 (0.52) BRAFKDRAURKACDK1PDGFRB
SCHEMBL3833243 0.68 RET (0.42) BRAFKDRIDH2SCN8ASCN10A
SCHEMBL2333691 0.68 KDR (0.47) BRAFKDRPDGFRBPDGFRAFLT1
SCHEMBL2333081 0.68 ALDH1A1 (0.48) BRAFKDR

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 BRAF 10/4885RAF1 12/4885ARAF 13/4885

“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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