SCHEMBL1370074

SCHEMBL1370074

NC(=O)C1=CCN(c2ccccn2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
MAP4K4 O95819 1/20 0.38
INSR P06213 1/20 0.38
ROS1 P08922 1/20 0.38
PIM1 P11309 1/20 0.38
PHKG2 P15735 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
FLT3 P36888 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
IRAK1 P51617 1/20 0.38
CDK5 Q00535 1/20 0.38
MAP4K2 Q12851 1/20 0.38
STK3 Q13188 1/20 0.38
PRKG2 Q13237 1/20 0.38
ROCK1 Q13464 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
SCHEMBL1383463 0.87 ALKBH2 (0.41) ALDH1A1KDM4ESMN1; SMN2BCHEACHE
SCHEMBL2513039 0.79 HPGD (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL390365 0.77 PLD1 (0.38) ALDH1A1KDM4ESMN1; SMN2CRBNMAPT
Hydrochloric Acid SCHEMBL27740357 0.76 PARP1 (0.34) RPS6KB1AKT1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28013191 0.75 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2CRBNHPGD
SCHEMBL28547827 0.74 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2CRBNMAPT
Hydrochloric Acid SCHEMBL30468939 0.70 PLK4 (0.37) PLK4ROCK2RPS6KA5MAP4K4INSR
SCHEMBL30776148 0.69 TRPV1 (0.58) ALDH1A1KDM4ESMN1; SMN2BCHEACHE
SCHEMBL28545863 0.67 HTT (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL29440912 0.67 ALOX5 (0.46) PLK4ROCK2RPS6KA5MAP4K4INSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288129-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2011-11-24 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-20110288129-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPA1 PLK4 3462/4885ROCK2 3159/4885RPS6KA5 2137/4885

“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.