SCHEMBL3770474

SCHEMBL3770474

CC(C)c1cccc(NC(=O)Nc2ccc(Nc3ncnc4[nH]ccc(=O)c34)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.52
▸ KDR P35968 6/20 0.52
▸ FLT3 P36888 3/20 0.49
▸ CA2 P00918 1/20 0.49
▸ RET P07949 1/20 0.48
▸ ROCK2 O75116 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP3A5 P20815 2/20 0.47
▸ LIMK1 P53667 2/20 0.47
▸ AURKB Q96GD4 4/20 0.44
▸ AURKA O14965 1/20 0.44
▸ INCENP Q9NQS7 1/20 0.44
▸ BTK Q06187 2/20 0.43
▸ EPHB4 P54760 1/20 0.43
▸ TEK Q02763 1/20 0.43
▸ PDGFRB P09619 2/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ MAPK10 P53779 1/20 0.42

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
SCHEMBL3768314 0.95 EGFR (0.46) EGFRKDRFLT3CA2RET
SCHEMBL3756301 0.87 FLT3 (0.52) EGFRKDRFLT3CA2RET
SCHEMBL3767014 0.84 BTK (0.52) EGFRKDRFLT3RETAURKB
SCHEMBL3762938 0.82 RET (0.60) KDRFLT3RETROCK2LIMK1
SCHEMBL3767943 0.80 FLT3 (0.53) KDRFLT3RETROCK2LIMK1
SCHEMBL3531165 0.77 EGFR (0.50) EGFRRETROCK2AURKBINCENP
SCHEMBL3765192 0.77 KDR (0.56) EGFRKDRRETAURKBKIT
SCHEMBL3537150 0.77 MAPK14 (0.56) CYP3A4KIT
SCHEMBL3767827 0.77 CDK8 (0.50) KDRFLT3RETAURKBKIT
SCHEMBL3762266 0.76 KIT (0.62) KDRFLT3CA2RETAURKB

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 EGFR 97/4885KDR 6/4885FLT3 24/4885

“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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