SCHEMBL16616502

SCHEMBL16616502

O=C(C=Cc1cccnc1Nc1ccc(F)cc1)c1ccccc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
KDR P35968 2/20 0.44
MAPK8 P45983 2/20 0.44
DAPK3 O43293 2/20 0.44
PAK4 O96013 2/20 0.44
PIM1 P11309 2/20 0.44
GSK3B P49841 2/20 0.44
CDK9 P50750 2/20 0.44
CDK5 Q00535 2/20 0.44
DYRK1A Q13627 2/20 0.44
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
ABL1 P00519 1/20 0.44
RET P07949 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
FLT1 P17948 1/20 0.44
LTK P29376 1/20 0.44
MAP2K2 P36507 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
SCHEMBL16616500 1.00 DHODH (0.47) DHODHKDRMAPK8DAPK3PAK4
SCHEMBL16616271 0.92 DHODH (0.53) DHODHKDRABCG2TUBB4ATUBB
SCHEMBL16616274 0.92 DHODH (0.53) DHODHKDRABCG2TUBB4ATUBB
SCHEMBL16616288 0.86 MEN1 (0.50) DHODHKDRMAPK8DAPK3PAK4
SCHEMBL16616286 0.86 MEN1 (0.50) DHODHKDRMAPK8DAPK3PAK4
SCHEMBL16616713 0.83 RAB9A (0.47) DHODHKDRMAPK8DAPK3PAK4
SCHEMBL16616715 0.83 RAB9A (0.47) DHODHKDRMAPK8DAPK3PAK4
SCHEMBL16616472 0.82 RAB9A (0.53) DHODHABCG2MAPTLMNASNCA
SCHEMBL16616470 0.82 RAB9A (0.53) DHODHABCG2MAPTLMNASNCA
SCHEMBL16616163 0.82 DHODH (0.63) DHODHKDRTUBB4ATUBBTUBA3C

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-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 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-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 DHODH 637/4885KDR 377/4885MAPK8 1397/4885

“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.