SCHEMBL3756301

SCHEMBL3756301

CC(C)Oc1cccc(NC(=O)Nc2ccc(Nc3ncnc4[nH]ccc(=O)c34)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.52
▸ CA2 P00918 1/20 0.51
▸ KDR P35968 4/20 0.50
▸ TTBK1 Q5TCY1 1/20 0.50
▸ TTBK2 Q6IQ55 1/20 0.50
▸ ROCK2 O75116 3/20 0.48
▸ LIMK1 P53667 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP3A5 P20815 2/20 0.48
▸ RET P07949 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ EGFR P00533 3/20 0.45
▸ AURKB Q96GD4 2/20 0.45
▸ INCENP Q9NQS7 1/20 0.45
▸ LIMK2 P53671 1/20 0.44
▸ CDK8 P49336 2/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CSF1R P07333 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
SCHEMBL3770474 0.87 EGFR (0.52) FLT3CA2KDRROCK2LIMK1
SCHEMBL3767943 0.86 FLT3 (0.53) FLT3KDRTTBK1TTBK2ROCK2
SCHEMBL3767014 0.83 BTK (0.52) FLT3KDRRETEGFRAURKB
SCHEMBL3768314 0.82 EGFR (0.46) FLT3CA2KDRTTBK1TTBK2
SCHEMBL3762349 0.81 FLT3 (0.49) FLT3KDRTTBK1TTBK2LIMK1
SCHEMBL3762938 0.81 RET (0.60) FLT3KDRTTBK1ROCK2LIMK1
SCHEMBL3763784 0.76 KDR (0.47) KDRRETEGFRCDK8BRAF
SCHEMBL3531165 0.76 EGFR (0.50) TTBK1TTBK2ROCK2RETEGFR
SCHEMBL3765192 0.76 KDR (0.56) KDRRETEGFRAURKBCDK8
SCHEMBL3767827 0.75 CDK8 (0.50) FLT3KDRRETAURKBCDK8

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 24/4885CA2 3377/4885KDR 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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