SCHEMBL1979460

SCHEMBL1979460

CC(N)C(O)(c1ccc(-c2cn[nH]c2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.43
AKT2 P31751 4/20 0.43
AKT1 P31749 4/20 0.43
ROCK1 Q13464 3/20 0.43
PRKACA P17612 2/20 0.43
AKT3 Q9Y243 2/20 0.43
RPS6KA5 O75582 1/20 0.43
RPS6KA4 O75676 1/20 0.43
LATS1 O95835 1/20 0.43
PRKACB P22694 1/20 0.43
RPS6KB1 P23443 1/20 0.43
GRK2 P25098 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKCD Q05655 1/20 0.43
RPS6KA2 Q15349 1/20 0.43
RPS6KA1 Q15418 1/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
SGK3 Q96BR1 1/20 0.43
RPS6KB2 Q9UBS0 1/20 0.43

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
SCHEMBL2018887 0.80 AKT2 (0.52) ROCK2AKT2AKT1LMNAMAPT
SCHEMBL1978170 0.78 ROCK2 (0.47) ROCK2AKT2AKT1ROCK1PRKACA
SCHEMBL19025570 0.67 HSD11B1 (0.51) LMNAMAPTGAAKDM4EALDH1A1
SCHEMBL6207923 0.66 ALDH1A1 (0.50) MAPTKDM4EALDH1A1CYP19A1CA12
SCHEMBL19605697 0.65 AKT2 (0.57) ROCK2AKT2AKT1PRKCD
SCHEMBL19605696 0.65 AKT2 (0.57) ROCK2AKT2AKT1PRKCD
SCHEMBL5250226 0.65 CLK1 (0.56) ROCK2AKT2AKT1ROCK1PRKACA
SCHEMBL25391375 0.64 AKT2 (0.59) ROCK2AKT2AKT1ROCK1PRKACA
Hydrochloric Acid SCHEMBL30969389 0.64 ROCK1 (0.58) ROCK2AKT2AKT1ROCK1PRKACA
Hydrochloric Acid SCHEMBL28749496 0.64 AKT2 (0.55) ROCK2AKT2AKT1PRKCD

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-8247576-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2012-08-21 US disclosed
US-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-16 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-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 ROCK2 1533/4885AKT2 124/4885AKT1 107/4885

“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.