SCHEMBL3760992

SCHEMBL3760992

O=C(Nc1ccc(Nc2ncnc3[nH]ccc(=O)c23)nc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.53
▸ BRAF P15056 3/20 0.53
▸ MAPK14 Q16539 3/20 0.53
▸ TNNI3K Q59H18 3/20 0.53
▸ RET P07949 1/20 0.51
▸ CDK8 P49336 5/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NTRK1 P04629 1/20 0.50
▸ NTRK3 Q16288 1/20 0.50
▸ NTRK2 Q16620 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TEK Q02763 1/20 0.47
▸ CDK7 P50613 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ KIT P10721 1/20 0.46

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
SCHEMBL3762938 0.90 RET (0.60) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3762134 0.89 KDR (0.52) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3765192 0.89 KDR (0.56) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3761531 0.85 KDR (0.53) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3767943 0.78 FLT3 (0.53) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3763767 0.78 NTRK1 (0.51) KDRBRAFMAPK14TNNI3KRET
SCHEMBL3767003 0.78 BRAF (0.42) KDRBRAFMAPK14
SCHEMBL3762349 0.77 FLT3 (0.49) KDRBRAFMAPK14TNNI3KCDK8
SCHEMBL3767915 0.77 BRAF (0.43) KDRBRAFKIT
SCHEMBL3761347 0.76 CA12 (0.52) KDRBRAFMAPK14RETCDK8

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 10/4885MAPK14 287/4885

“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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