Sugi Predict

Sugi Predict / Compounds / SCHEMBL1978134

SCHEMBL1978134

SCHEMBL1978134

CNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 4/20 0.47
▸ AKT1 P31749 6/20 0.46
▸ ROCK2 O75116 8/20 0.44
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ PRKCH P24723 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCZ Q05513 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ PRKD1 Q15139 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ ROCK1 Q13464 2/20 0.41
▸ HTR2A P28223 1/20 0.40

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
SCHEMBL5972164 0.92 ROCK2 (0.49) AKT2AKT1ROCK2PRKD3PRKCG
SCHEMBL1977801 0.88 ROCK2 (0.53) AKT2AKT1ROCK2PRKD3PRKCG
SCHEMBL1978888 0.85 AKT2 (0.65) AKT2AKT1ROCK2PRKD3PRKCG
SCHEMBL1978444 0.84 ROCK2 (0.54) AKT2AKT1ROCK2PRKD3PRKCG
SCHEMBL3030076 0.83 AKT2 (0.50) AKT2AKT1ROCK2PRKD3PRKCG
SCHEMBL1979011 0.83 AKT2 (0.50) AKT2AKT1ROCK2PRKD3PRKCG
SCHEMBL1976907 0.82 SLC6A2 (0.52) AKT2AKT1ROCK2SLC6A2SLC6A4
SCHEMBL16480364 0.81 ROCK2 (0.47) AKT2AKT1ROCK2PRKD3PRKCG
SCHEMBL1980599 0.81 ROCK2 (0.55) AKT2AKT1ROCK2PRKD3PRKCG
SCHEMBL1978768 0.81 ROCK2 (0.48) AKT2ROCK2ROCK1

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 45 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-8247576-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2012-08-21 — — 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
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
EP-1902032-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-03-26 — — EP 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 (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.