SCHEMBL1978095

SCHEMBL1978095

COC(=O)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
PPARA Q07869 2/20 0.43
MAPT P10636 2/20 0.43
CYP2D6 P10635 1/20 0.43
KCNN4 O15554 1/20 0.42

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
SCHEMBL6825088 0.84 POLB (0.50) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL11465411 0.82 KMT2A (0.52) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL2126365 0.82 POLB (0.49) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL9329473 0.82 POLB (0.49) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL11843768 0.82 MEN1 (0.49) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL834511 0.82 CHRM2 (0.53) CYP3A4MAPTKCNN4ELANETSHR
SCHEMBL12879302 0.81 GRIN2D (0.47) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL10471565 0.80 EPHX2 (0.42) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL4088542 0.80 MEN1 (0.47) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL11841428 0.80 MEN1 (0.66) POLBMEN1KMT2AGRIN2DGRIN3B

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 40 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 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
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 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-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US 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
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 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
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-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 POLB 2473/4885MEN1 3759/4885KMT2A 1820/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 POLB 4445/4885MEN1 2304/4885KMT2A 2709/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 POLB 1865/4885MEN1 3597/4885KMT2A 1913/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 POLB 2473/4885MEN1 3759/4885KMT2A 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.