SCHEMBL3763732

SCHEMBL3763732

CNCCOc1ccc(NC(=O)Nc2ccc(Nc3ncnc4[nH]ccc(=O)c34)cc2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.43
▸ NTRK3 Q16288 3/20 0.43
▸ NTRK2 Q16620 3/20 0.43
▸ KIT P10721 2/20 0.42
▸ RAF1 P04049 2/20 0.41
▸ KDR P35968 7/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ BRAF P15056 3/20 0.40
▸ CDK8 P49336 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ RET P07949 3/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ MET P08581 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ TNNI3K Q59H18 1/20 0.38

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
SCHEMBL3763784 0.88 KDR (0.47) NTRK1NTRK3NTRK2KITRAF1
SCHEMBL9946550 0.85 NTRK1 (0.39) NTRK1NTRK3NTRK2KITRAF1
SCHEMBL9903084 0.83 BRAF (0.58) RAF1KDRBRAFEGFRRET
SCHEMBL3767827 0.82 CDK8 (0.50) NTRK1NTRK3NTRK2KITKDR
SCHEMBL3762266 0.82 KIT (0.62) NTRK1NTRK3NTRK2KITRAF1
SCHEMBL9903598 0.80 BRAF (0.52) NTRK1NTRK3NTRK2RAF1KDR
SCHEMBL3768545 0.77 BRAF (0.51) NTRK1NTRK3NTRK2RAF1KDR
SCHEMBL3762938 0.77 RET (0.60) NTRK1NTRK3NTRK2KITKDR
SCHEMBL3836297 0.75 RIPK1 (0.40) NTRK1NTRK2KITRAF1KDR
SCHEMBL3767943 0.75 FLT3 (0.53) NTRK1NTRK3NTRK2KDRBRAF

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 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.

Send feedback