SCHEMBL16038602

SCHEMBL16038602

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
GCK P35557 1/20 0.43
P2RX3 P56373 1/20 0.43
GRM5 P41594 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RIOK2 Q9BVS4 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
MAPK10 P53779 2/20 0.39
GSK3A P49840 1/20 0.39
KDR P35968 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MET P08581 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL16037109 0.87 MAPK14 (0.46) GAAGCKGRM5KDRMET
SCHEMBL16038151 0.86 GCK (0.46) GAAGCKGRM5KDRALDH1A1
SCHEMBL16038149 0.86 GCK (0.46) GAAGCKGRM5KDRALDH1A1
SCHEMBL16038577 0.84 GCK (0.46) GAAGCKGRM5KDRMET
SCHEMBL16038062 0.84 KDR (0.53) KDRMET
SCHEMBL16038744 0.84 RIOK2 (0.44) GCKGRM5RIOK2TYK2MAPK10
SCHEMBL16037722 0.82 CSF1R (0.45) GAAGCKP2RX3POLBSMN1; SMN2
SCHEMBL16038768 0.81 CDK8 (0.48) GCKP2RX3GRM5RIOK2JAK2
SCHEMBL4326186 0.81 MAPT (0.49) GCKP2RX3POLBSMN1; SMN2NPC1
SCHEMBL16038592 0.79 KDR (0.53) 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 GAA 1406/4885GCK 1551/4885P2RX3 1674/4885

“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.