SCHEMBL1977183

SCHEMBL1977183

NC(=O)C(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.62
ROCK2 O75116 7/20 0.62
AKT1 P31749 10/20 0.59
PRKCD Q05655 2/20 0.54
PRKD3 O94806 1/20 0.54
PRKCG P05129 1/20 0.54
PRKCB P05771 1/20 0.54
BRAF P15056 1/20 0.54
PRKCA P17252 1/20 0.54
PRKCH P24723 1/20 0.54
PRKCI P41743 1/20 0.54
PRKCE Q02156 1/20 0.54
PRKCQ Q04759 1/20 0.54
PRKCZ Q05513 1/20 0.54
PRKD1 Q15139 1/20 0.54
PRKACA P17612 2/20 0.52
AKT3 Q9Y243 2/20 0.52
RPS6KA5 O75582 1/20 0.52
RPS6KA4 O75676 1/20 0.52
LATS1 O95835 1/20 0.52

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
SCHEMBL1979264 0.82 AKT2 (0.69) AKT2ROCK2AKT1PRKCDPRKD3
SCHEMBL1978203 0.82 ROCK2 (0.69) AKT2ROCK2AKT1PRKCDPRKD3
SCHEMBL14331293 0.82 ROCK2 (0.60) AKT2ROCK2AKT1PRKCDPRKD3
SCHEMBL1976418 0.80 AKT2 (0.70) AKT2ROCK2AKT1PRKCDPRKD3
SCHEMBL1385812 0.79 AKT2 (0.67) AKT2ROCK2AKT1PRKCDPRKD3
SCHEMBL3739983 0.78 HDAC4 (0.57)
SCHEMBL16712958 0.77 ROCK2 (1.00) AKT2ROCK2ROCK1
SCHEMBL1978669 0.77 AKT2 (0.61) AKT2ROCK2AKT1PRKCDPRKD3
SCHEMBL1977797 0.77 AKT2 (1.00) AKT2ROCK2AKT1PRKCDPRKD3
SCHEMBL2797505 0.77 AKT2 (1.00) AKT2ROCK2AKT1PRKCDPRKD3

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 57 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
CN-1922148-B Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LTD 2012-03-21 CN 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
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
EP-1706385-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2006-10-04 EP disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 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 AKT2 124/4885ROCK2 1533/4885AKT1 107/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 AKT2 37/4885ROCK2 29/4885AKT1 40/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 AKT2 214/4885ROCK2 2144/4885AKT1 199/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 AKT2 114/4885ROCK2 1353/4885AKT1 91/4885

“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.