SCHEMBL4259334

SCHEMBL4259334

NC(=O)c1c(N)n(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cc2)c[n+]1[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.50
NTRK1 P04629 9/20 0.49
KDR P35968 4/20 0.45
EPHA3 P29320 1/20 0.39
EPHB4 P54760 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RIPK1 Q13546 2/20 0.38
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4260344 0.89 KDR (0.56) IDH2NTRK1KDREPHA3EPHB4
SCHEMBL4264162 0.87 ALDH1A1 (0.49) NTRK1KDREPHA3EPHB4CA12
SCHEMBL2331434 0.83 NTRK1 (0.52) IDH2NTRK1KDREPHA3EPHB4
SCHEMBL4258706 0.79 NTRK1 (0.47) IDH2NTRK1KDRRIPK1KIT
SCHEMBL4260696 0.79 NTRK1 (0.49) IDH2NTRK1KDRRIPK1KIT
SCHEMBL4259336 0.79 NTRK1 (0.49) IDH2NTRK1KDREPHA3EPHB4
SCHEMBL4253258 0.78 KDR (0.62) IDH2NTRK1KDR
SCHEMBL2337959 0.75 NTRK1 (0.51) IDH2NTRK1KDRRIPK1KIT
SCHEMBL28141772 0.75 IDH2 (0.55) IDH2NTRK1KDRALDH1A1
SCHEMBL2333774 0.75 KDR (0.61) IDH2NTRK1KDR

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 2 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
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 IDH2 481/4885NTRK1 828/4885KDR 993/4885

“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.