SCHEMBL4259336

SCHEMBL4259336

NC(=O)C1=C(N)N(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cc2)CN1O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.49
IDH2 P48735 3/20 0.48
ALDH1A1 P00352 1/20 0.39
KDR P35968 4/20 0.39
BRAF P15056 1/20 0.39
RIPK1 Q13546 2/20 0.38
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
EPHA3 P29320 1/20 0.37
EPHB4 P54760 1/20 0.37

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
SCHEMBL4260345 0.89 KDR (0.49) NTRK1IDH2ALDH1A1KDRBRAF
SCHEMBL4264165 0.88 ALDH1A1 (0.50) NTRK1ALDH1A1KDR
SCHEMBL2331434 0.82 NTRK1 (0.52) NTRK1IDH2ALDH1A1KDRRIPK1
SCHEMBL4259334 0.79 IDH2 (0.50) NTRK1IDH2ALDH1A1KDRRIPK1
SCHEMBL28141772 0.75 IDH2 (0.55) NTRK1IDH2ALDH1A1KDR
SCHEMBL4763321 0.75 SYK (0.43) NTRK1KDREPHA3EPHB4
SCHEMBL2333774 0.75 KDR (0.61) NTRK1IDH2KDRBRAF
SCHEMBL2337959 0.74 NTRK1 (0.51) NTRK1IDH2KDRRIPK1KIT
SCHEMBL4260696 0.73 NTRK1 (0.49) NTRK1IDH2KDRRIPK1KIT
SCHEMBL4258706 0.73 NTRK1 (0.47) NTRK1IDH2KDRBRAFRIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-05-14 US claimed
EP-2004631-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES Merck Patent GmbH (DE) 2008-12-24 EP claimed
WO-2007115670-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GMBH (DE) 2007-10-18 WO claimed
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-05-14 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-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES ABL1, NME2, MAP3K1 NTRK1 828/4885IDH2 481/4885ALDH1A1 2311/4885

“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.