SCHEMBL3762933

SCHEMBL3762933

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4[nH]ccc(=O)c34)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.61
▸ NTRK3 Q16288 2/20 0.61
▸ NTRK2 Q16620 2/20 0.61
▸ RET P07949 8/20 0.60
▸ FLT3 P36888 7/20 0.59
▸ BRAF P15056 2/20 0.58
▸ CSF1R P07333 2/20 0.57
▸ KDR P35968 2/20 0.57
▸ MAPK13 O15264 1/20 0.57
▸ MAP3K7 O43318 1/20 0.57
▸ CCNT1 O60563 1/20 0.57
▸ RAF1 P04049 1/20 0.57
▸ LYN P07948 1/20 0.57
▸ HCK P08631 1/20 0.57
▸ PDGFRB P09619 1/20 0.57
▸ KIT P10721 1/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ CDK4 P11802 1/20 0.57
▸ PDGFRA P16234 1/20 0.57
▸ FLT1 P17948 1/20 0.57

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
SCHEMBL13234898 0.82 NTRK1 (0.64) NTRK1NTRK3NTRK2RETFLT3
SCHEMBL19646968 0.79 FLT3 (0.72) NTRK1NTRK3NTRK2RETFLT3
SCHEMBL28514347 0.76 NTRK3 (1.00) NTRK1NTRK3NTRK2RETFLT3
SCHEMBL3531165 0.76 EGFR (0.50) RETBRAFAURKB
SCHEMBL1698822 0.76 MAPK14 (0.76) FLT3KDRMAPK13RAF1MAPK12
SCHEMBL3762938 0.75 RET (0.60) NTRK1NTRK3NTRK2RETFLT3
SCHEMBL3767014 0.75 BTK (0.52) RETFLT3KDRPDGFRBKIT
SCHEMBL3770474 0.75 EGFR (0.52) RETFLT3KDRPDGFRBKIT
SCHEMBL3767827 0.75 CDK8 (0.50) NTRK1NTRK3NTRK2RETFLT3
SCHEMBL3528535 0.74 MAPK14 (0.66) NTRK1NTRK3NTRK2MAPK13KIT

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 NTRK1 535/4885NTRK3 508/4885NTRK2 1014/4885

“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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