SCHEMBL1977797

SCHEMBL1977797

NCC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 1.00
AKT1 P31749 10/20 0.65
ROCK2 O75116 7/20 0.58
PRKACA P17612 2/20 0.58
AKT3 Q9Y243 2/20 0.58
PRKCD Q05655 2/20 0.58
RPS6KA5 O75582 1/20 0.58
RPS6KA4 O75676 1/20 0.58
LATS1 O95835 1/20 0.58
PRKACB P22694 1/20 0.58
RPS6KB1 P23443 1/20 0.58
GRK2 P25098 1/20 0.58
RPS6KA3 P51812 1/20 0.58
ROCK1 Q13464 1/20 0.58
RPS6KA2 Q15349 1/20 0.58
RPS6KA1 Q15418 1/20 0.58
PKN1 Q16512 1/20 0.58
PKN2 Q16513 1/20 0.58
SGK3 Q96BR1 1/20 0.58
RPS6KB2 Q9UBS0 1/20 0.58

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
SCHEMBL2797505 1.00 AKT2 (1.00) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL1981729 1.00 AKT2 (1.00) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL4650184 0.88 AKT2 (0.79) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL1979072 0.88 AKT2 (0.79) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL4650083 0.88 AKT2 (0.79) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL1978044 0.88 AKT2 (1.00) AKT2AKT1ROCK2ROCK1
SCHEMBL1978909 0.86 AKT2 (0.75) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL1978715 0.86 AKT2 (0.75) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL13114220 0.85 AKT2 (0.74) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL27674398 0.85 AKT2 (0.74) AKT2AKT1ROCK2PRKACAAKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US claimed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US claimed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US claimed
US-8541461-B2 Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2013-09-24 US claimed
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2013-01-03 US claimed
US-8343953-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-01-01 US claimed
US-8247576-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2012-08-21 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 124/4885AKT1 107/4885ROCK2 1533/4885
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS PRKCB, MAP3K19, MAP4K2 AKT2 146/4885AKT1 114/4885ROCK2 451/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 AKT2 114/4885AKT1 91/4885ROCK2 1353/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 AKT2 37/4885AKT1 40/4885ROCK2 29/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 AKT2 214/4885AKT1 199/4885ROCK2 2144/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 AKT2 114/4885AKT1 91/4885ROCK2 1353/4885

“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.