SCHEMBL3762349

SCHEMBL3762349

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.49
▸ KDR P35968 7/20 0.49
▸ BRAF P15056 4/20 0.46
▸ EGFR P00533 2/20 0.46
▸ ITK Q08881 1/20 0.46
▸ TTBK1 Q5TCY1 1/20 0.45
▸ TTBK2 Q6IQ55 1/20 0.45
▸ MAPK14 Q16539 1/20 0.44
▸ TNNI3K Q59H18 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ LIMK2 P53671 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ ERBB2 P04626 1/20 0.43
▸ ERBB3 P21860 1/20 0.43
▸ ERBB4 Q15303 1/20 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
SCHEMBL3767943 0.95 FLT3 (0.53) FLT3KDRBRAFTTBK1TTBK2
SCHEMBL3765192 0.85 KDR (0.56) KDRBRAFEGFRMAPK14TNNI3K
SCHEMBL3756301 0.81 FLT3 (0.52) FLT3KDRBRAFEGFRTTBK1
SCHEMBL3762938 0.81 RET (0.60) FLT3KDRBRAFTTBK1MAPK14
SCHEMBL3768314 0.80 EGFR (0.46) FLT3KDRBRAFEGFRTTBK1
SCHEMBL3762134 0.79 KDR (0.52) FLT3KDRBRAFEGFRMAPK14
SCHEMBL3760992 0.77 KDR (0.53) FLT3KDRBRAFMAPK14TNNI3K
SCHEMBL3767014 0.77 BTK (0.52) FLT3KDREGFRMAPK14TNNI3K
SCHEMBL3761531 0.77 KDR (0.53) KDRBRAFEGFRMAPK14TNNI3K
SCHEMBL3767827 0.75 CDK8 (0.50) FLT3KDRCDK8

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 FLT3 24/4885KDR 6/4885BRAF 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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