SCHEMBL12317853

SCHEMBL12317853

COc1ccc(C(NC(=O)c2ccc3c(-c4cncn4C)n[nH]c3c2)c2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.43
▸ ROCK1 Q13464 1/20 0.41
▸ MAPK1 P28482 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ MAPK3 P27361 2/20 0.39
▸ ITK Q08881 1/20 0.39
▸ TP53 P04637 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
SCHEMBL12318045 0.90 MAPK1 (0.45) MAPK1GSK3BDYRK1AAKT1MAPK3
SCHEMBL12269673 0.84 ROCK2 (0.39) ROCK2ROCK1MAPK1ALDH1A1CYP3A4
SCHEMBL12317929 0.78 MAP2K4 (0.53) MAPK1ALDH1A1CYP3A4DYRK1AGAA
SCHEMBL13844313 0.75 ATM (0.37) ROCK2ROCK1MAPK1GSK3BDYRK1A
SCHEMBL12317927 0.75 MAP2K4 (0.48) MAPK1CYP3A4ITK
SCHEMBL12269784 0.74 AKT1 (0.40) MAPK1AKT1MAPK3
SCHEMBL12317932 0.71 ITK (0.53) ROCK2ROCK1MAPK1ALDH1A1GAA
SCHEMBL12318101 0.71 ITK (0.51) ROCK2MAPK1ALDH1A1GAALMNA
SCHEMBL12653398 0.71 L3MBTL1 (0.41) MAPK1ALDH1A1GSK3BDYRK1ALMNA
SCHEMBL12317931 0.70 GSK3B (0.47) GSK3BDYRK1AITK

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-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 — — US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 — — US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — 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 (2 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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 ROCK2 484/4885ROCK1 336/4885MAPK1 81/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 ROCK2 484/4885ROCK1 336/4885MAPK1 81/4885

“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.

Send feedback