Sugi Predict

Sugi Predict / Compounds / SCHEMBL1979704

SCHEMBL1979704

SCHEMBL1979704

Cc1[nH]nc(C(F)(F)F)c1-c1ccc(C(CN)Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.40
▸ AKT2 P31751 5/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CHEK1 O14757 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ AKT1 P31749 6/20 0.35
▸ CDK2 P24941 4/20 0.35
▸ DAPK3 O43293 3/20 0.35
▸ PAK4 O96013 3/20 0.35
▸ CHEK2 O96017 3/20 0.35
▸ PRKCG P05129 3/20 0.35
▸ PIM1 P11309 3/20 0.35
▸ PRKACA P17612 3/20 0.35
▸ RPS6KB1 P23443 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ FLT3 P36888 3/20 0.35
▸ CSNK1D P48730 3/20 0.35
▸ MAPKAPK2 P49137 3/20 0.35
▸ GSK3A P49840 3/20 0.35
▸ GSK3B P49841 3/20 0.35

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
SCHEMBL1981381 0.83 IKBKE (0.43) IKBKEAKT2KMT2ACHEK1AKT1
SCHEMBL1977516 0.81 AKT2 (0.40) IKBKEAKT2KMT2ACHEK1AKT1
SCHEMBL7560776 0.77 AKT2 (0.59) IKBKEAKT2KMT2ACHEK1AKT1
SCHEMBL13183784 0.72 NOTUM (0.39) IKBKEAKT2KMT2ACHEK1ALDH1A1
SCHEMBL31308696 0.69 IKBKB (0.58) AKT2KMT2ACHEK1ALDH1A1MAPK1
SCHEMBL1978512 0.68 CHEK1 (0.40) IKBKEAKT2KMT2ACHEK1GSK3A
SCHEMBL1541691 0.68 GABBR2 (0.53) ALDH1A1CYP19A1
SCHEMBL8810284 0.68 GABBR2 (0.53) ALDH1A1CYP19A1
SCHEMBL8621230 0.68 GABBR2 (0.53) ALDH1A1CYP19A1
SCHEMBL1978898 0.67 AKT2 (0.63) IKBKEAKT2KMT2ACHEK1CHUK

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 20 patents. 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 disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 — — US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 — — US disclosed
US-8541461-B2 Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2013-09-24 — — US disclosed
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2013-01-03 — — US disclosed
US-8343953-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-01-01 — — US disclosed
US-8247576-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2012-08-21 — — US disclosed
CN-1922148-B Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LTD 2012-03-21 — — CN disclosed
US-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-16 — — US disclosed
EP-1706385-B1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2010-10-06 — — EP disclosed
EP-2228369-A1 Pyrazole derivatives as protein kinase modulators Astex Therapeutics Ltd. (GB) 2010-09-15 — — EP disclosed
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-01 — — US disclosed
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 — — US disclosed
EP-1933832-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2008-06-25 — — EP disclosed
EP-1902032-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-03-26 — — EP 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
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 (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 IKBKE 521/4885AKT2 124/4885KMT2A 1751/4885
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS PRKCB, MAP3K19, MAP4K2 IKBKE 356/4885AKT2 146/4885KMT2A 2028/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 IKBKE 498/4885AKT2 114/4885KMT2A 1820/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 IKBKE 792/4885AKT2 37/4885KMT2A 2709/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 IKBKE 613/4885AKT2 214/4885KMT2A 1913/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 IKBKE 498/4885AKT2 114/4885KMT2A 1820/4885

“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.