SCHEMBL3767943

SCHEMBL3767943

O=C(Nc1ccc(Nc2ncnc3[nH]ccc(=O)c23)cc1)Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.53
▸ BRAF P15056 4/20 0.49
▸ TTBK1 Q5TCY1 1/20 0.49
▸ TTBK2 Q6IQ55 1/20 0.49
▸ KDR P35968 7/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ TNNI3K Q59H18 1/20 0.48
▸ RET P07949 2/20 0.45
▸ LIMK1 P53667 2/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ LIMK2 P53671 1/20 0.43
▸ CDK8 P49336 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
SCHEMBL3762349 0.95 FLT3 (0.49) FLT3BRAFTTBK1TTBK2KDR
SCHEMBL3756301 0.86 FLT3 (0.52) FLT3BRAFTTBK1TTBK2KDR
SCHEMBL3762938 0.86 RET (0.60) FLT3BRAFTTBK1KDRMAPK14
SCHEMBL3767014 0.82 BTK (0.52) FLT3KDRMAPK14TNNI3KRET
SCHEMBL3765192 0.81 KDR (0.56) BRAFKDRMAPK14TNNI3KRET
SCHEMBL3770474 0.80 EGFR (0.52) FLT3KDRRETLIMK1ROCK2
SCHEMBL3767827 0.80 CDK8 (0.50) FLT3KDRRETNTRK1NTRK3
SCHEMBL3762266 0.79 KIT (0.62) FLT3BRAFKDRRETNTRK1
SCHEMBL3763784 0.79 KDR (0.47) BRAFKDRRETNTRK1NTRK3
SCHEMBL3760992 0.78 KDR (0.53) FLT3BRAFKDRMAPK14TNNI3K

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 FLT3 24/4885BRAF 10/4885TTBK1 211/4885

“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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