SCHEMBL1978710

SCHEMBL1978710

NCCC(c1ccc(-c2cn[nH]c2)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 8/20 0.46
AKT1 P31749 8/20 0.42
RPS6KB1 P23443 4/20 0.38
AKT3 Q9Y243 3/20 0.37
ROCK2 O75116 3/20 0.37
RPS6KA5 O75582 2/20 0.37
RPS6KA3 P51812 2/20 0.37
PRKCD Q05655 2/20 0.37
ROCK1 Q13464 2/20 0.37
PKN2 Q16513 2/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
DCLK1 O15075 1/20 0.37
MAPK13 O15264 1/20 0.37
PDPK1 O15530 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL3030119 0.88 AKT2 (0.60) AKT2AKT1RPS6KB1AKT3ROCK2
SCHEMBL1978674 0.88 AKT2 (0.60) AKT2AKT1RPS6KB1AKT3ROCK2
SCHEMBL3021541 0.79 AKT2 (0.57) AKT2AKT1RPS6KB1AKT3ROCK2
SCHEMBL1978909 0.78 AKT2 (0.75) AKT2AKT1RPS6KB1AKT3ROCK2
SCHEMBL1977536 0.76 AKT2 (0.54) AKT2AKT1ROCK2PRKCDROCK1
SCHEMBL4650083 0.75 AKT2 (0.79) AKT2AKT1RPS6KB1AKT3ROCK2
SCHEMBL4650184 0.75 AKT2 (0.79) AKT2AKT1RPS6KB1AKT3ROCK2
SCHEMBL1979072 0.75 AKT2 (0.79) AKT2AKT1RPS6KB1AKT3ROCK2
SCHEMBL1978987 0.74 AKT2 (0.61) AKT2AKT1RPS6KB1AKT3ROCK2
SCHEMBL1978776 0.71 AKT2 (0.53) AKT2AKT1ROCK2ROCK1

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 53 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
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
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
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 124/4885AKT1 107/4885RPS6KB1 69/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 AKT2 37/4885AKT1 40/4885RPS6KB1 30/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 AKT2 214/4885AKT1 199/4885RPS6KB1 79/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 AKT2 114/4885AKT1 91/4885RPS6KB1 67/4885

“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.