SCHEMBL16038592

SCHEMBL16038592

CN1CCC(C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])nc3)ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.53
BRAF P15056 9/20 0.50
MET P08581 2/20 0.49
PIK3C3 Q8NEB9 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL16038062 0.92 KDR (0.53) KDRBRAFMETABL1
SCHEMBL16037048 0.86 PDGFRB (0.45) KDRMETGSK3BDYRK1AABL1
SCHEMBL21772037 0.84 KDR (0.51) KDRBRAFABL1
SCHEMBL16037156 0.84 KDR (0.56) KDRBRAFMETPIK3C3GSK3B
SCHEMBL4323749 0.83 BRAF (0.49) KDRBRAFPIK3C3
SCHEMBL16037109 0.82 MAPK14 (0.46) KDRBRAFMET
SCHEMBL16038149 0.81 GCK (0.46) KDRBRAFMET
SCHEMBL16038151 0.81 GCK (0.46) KDRBRAFMET
SCHEMBL16038744 0.79 RIOK2 (0.44) KDRBRAFMETGSK3B
SCHEMBL16038602 0.79 GAA (0.43) KDRMET

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
US-9309224-B2 N-acyl-N′-(pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC. (US) 2016-04-12 US disclosed
US-20140275016-A1 N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 US disclosed
WO-2014145029-A2 N-ACYL-N'-(PYRIDIN-2-YL) UREAS AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 WO 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-20140275016-A1 N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities KIT, CSF1R, CSF3R KDR 238/4885BRAF 470/4885MET 471/4885

“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.