SCHEMBL16038149

SCHEMBL16038149

O=C(O)Nc1cc(Oc2ccc([N+](=O)[O-])nc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.46
GRM5 P41594 7/20 0.44
GAA P10253 1/20 0.39
KDR P35968 3/20 0.39
MET P08581 1/20 0.39
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
BRAF P15056 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
SCHEMBL16038151 1.00 GCK (0.46) GCKGRM5GAAKDRMET
SCHEMBL16037109 0.89 MAPK14 (0.46) GCKGRM5GAAKDRMET
SCHEMBL16038577 0.86 GCK (0.46) GCKGRM5GAAKDRMET
SCHEMBL16038744 0.86 RIOK2 (0.44) GCKGRM5KDRMETALDH1A1
SCHEMBL16038602 0.86 GAA (0.43) GCKGRM5GAAKDRMET
SCHEMBL16038062 0.86 KDR (0.53) KDRMETBRAF
SCHEMBL16037048 0.81 PDGFRB (0.45) KDRMET
SCHEMBL16038592 0.81 KDR (0.53) KDRMETBRAF
SCHEMBL14949664 0.81 MAPT (0.51) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL14949667 0.81 MAPT (0.51) ALDH1A1HPGDMEN1MAPTKMT2A

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 GCK 1551/4885GRM5 3876/4885GAA 1406/4885

“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.