SCHEMBL3768314

SCHEMBL3768314

CC(C)c1cccc(NC(=O)Nc2cccc(Nc3ncnc4[nH]ccc(=O)c34)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ KDR P35968 2/20 0.46
▸ CA2 P00918 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP3A5 P20815 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ AURKB Q96GD4 2/20 0.43
▸ BTK Q06187 2/20 0.43
▸ BRAF P15056 2/20 0.43
▸ TNNI3K Q59H18 1/20 0.43
▸ NTRK1 P04629 1/20 0.42
▸ RET P07949 1/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ TTBK1 Q5TCY1 1/20 0.42
▸ TTBK2 Q6IQ55 1/20 0.42
▸ HDAC3 O15379 1/20 0.41

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 0.95 EGFR (0.52) EGFRFLT3KDRCA2ROCK2
SCHEMBL3765192 0.82 KDR (0.56) EGFRKDRMEN1KMT2AAURKB
SCHEMBL3756301 0.82 FLT3 (0.52) EGFRFLT3KDRCA2ROCK2
SCHEMBL3762349 0.80 FLT3 (0.49) EGFRFLT3KDRLIMK1BRAF
SCHEMBL3767014 0.79 BTK (0.52) EGFRFLT3KDRAURKBBTK
SCHEMBL3762938 0.77 RET (0.60) FLT3KDRMEN1KMT2AROCK2
SCHEMBL3767943 0.75 FLT3 (0.53) FLT3KDRROCK2LIMK1BRAF
SCHEMBL3762134 0.73 KDR (0.52) EGFRFLT3KDRMEN1KMT2A
SCHEMBL3761531 0.73 KDR (0.53) EGFRKDRMEN1KMT2AAURKB
SCHEMBL3537150 0.72 MAPK14 (0.56) CYP3A4NTRK1

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

“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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