SCHEMBL3767014

SCHEMBL3767014

CCc1cccc(NC(=O)Nc2ccc(Nc3ncnc4[nH]ccc(=O)c34)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.52
▸ KDR P35968 10/20 0.52
▸ RIPK1 Q13546 1/20 0.49
▸ AURKB Q96GD4 3/20 0.49
▸ AURKA O14965 2/20 0.49
▸ MAPK14 Q16539 1/20 0.48
▸ TNNI3K Q59H18 1/20 0.48
▸ KIT P10721 3/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ PDGFRA P16234 2/20 0.46
▸ RET P07949 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ INCENP Q9NQS7 1/20 0.44

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
SCHEMBL3770474 0.84 EGFR (0.52) BTKKDRAURKBAURKAKIT
SCHEMBL3756301 0.83 FLT3 (0.52) KDRAURKBMAPK14TNNI3KFLT3
SCHEMBL3762938 0.82 RET (0.60) KDRRIPK1AURKBAURKAMAPK14
SCHEMBL3767943 0.82 FLT3 (0.53) KDRMAPK14TNNI3KFLT3RET
SCHEMBL3768314 0.79 EGFR (0.46) BTKKDRAURKBAURKATNNI3K
SCHEMBL3531165 0.77 EGFR (0.50) AURKBEGFRRETINCENP
SCHEMBL3765192 0.77 KDR (0.56) KDRAURKBMAPK14TNNI3KKIT
SCHEMBL3762349 0.77 FLT3 (0.49) KDRMAPK14TNNI3KFLT3EGFR
SCHEMBL3767827 0.77 CDK8 (0.50) KDRRIPK1AURKBKITFLT3
SCHEMBL3762266 0.76 KIT (0.62) KDRRIPK1AURKBKITFLT3

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 BTK 184/4885KDR 6/4885RIPK1 235/4885

“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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