Sugi Predict

Sugi Predict / Compounds / SCHEMBL1978170

SCHEMBL1978170

SCHEMBL1978170

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.47
▸ ROCK1 Q13464 3/20 0.47
▸ PRKACA P17612 2/20 0.47
▸ AKT1 P31749 2/20 0.47
▸ AKT2 P31751 2/20 0.47
▸ AKT3 Q9Y243 2/20 0.47
▸ RPS6KA5 O75582 1/20 0.47
▸ RPS6KA4 O75676 1/20 0.47
▸ LATS1 O95835 1/20 0.47
▸ PRKACB P22694 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ GRK2 P25098 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ PRKCD Q05655 1/20 0.47
▸ RPS6KA2 Q15349 1/20 0.47
▸ RPS6KA1 Q15418 1/20 0.47
▸ PKN1 Q16512 1/20 0.47
▸ PKN2 Q16513 1/20 0.47
▸ SGK3 Q96BR1 1/20 0.47
▸ RPS6KB2 Q9UBS0 1/20 0.47

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
SCHEMBL1979179 0.82 AKT1 (0.70) ROCK2ROCK1PRKACAAKT1AKT2
SCHEMBL2018887 0.79 AKT2 (0.52) ROCK2AKT1AKT2ALDH1A1POLB
SCHEMBL1979460 0.78 ROCK2 (0.43) ROCK2ROCK1PRKACAAKT1AKT2
SCHEMBL3020349 0.70 AKT1 (0.67) ROCK2ROCK1PRKACAAKT1AKT2
SCHEMBL13327376 0.68 AKT1 (0.64) ROCK2ROCK1PRKACAAKT1AKT2
SCHEMBL1977647 0.68 AKT1 (0.56) ROCK2ROCK1PRKACAAKT1AKT2
SCHEMBL13114221 0.68 AKT2 (0.44) ROCK2ROCK1PRKACAAKT1AKT2
SCHEMBL3029971 0.68 AKT2 (0.60) ROCK2ROCK1PRKACAAKT1AKT2
SCHEMBL21008398 0.68 ALDH1A1 (0.50) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL851496 0.68 ROCK2 (0.59) ROCK2ROCK1PRKACAAKT1AKT2

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541461-B2 Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2013-09-24 — — US claimed
US-8343953-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-01-01 — — US claimed
US-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-16 — — US claimed
EP-1706385-B1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2010-10-06 — — EP claimed
EP-2228369-A1 Pyrazole derivatives as protein kinase modulators Astex Therapeutics Ltd. (GB) 2010-09-15 — — EP claimed
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-01 — — US claimed
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 — — US claimed
EP-1933832-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2008-06-25 — — EP claimed
EP-1902032-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-03-26 — — EP claimed
CN-1922148-A Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LTD (GB) 2007-02-28 — — CN claimed
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 — — WO claimed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 — — WO claimed
EP-1706385-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2006-10-04 — — EP claimed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 — — WO claimed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 — — US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 — — US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 — — US disclosed
CN-1922148-A Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LTD (GB) 2007-02-28 — — CN disclosed
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 — — WO disclosed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 — — 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 (4 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 1533/4885ROCK1 1919/4885PRKACA 109/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 ROCK2 29/4885ROCK1 32/4885PRKACA 609/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 ROCK2 2144/4885ROCK1 2679/4885PRKACA 26/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 ROCK2 1353/4885ROCK1 1742/4885PRKACA 140/4885

“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.