SCHEMBL1978757

SCHEMBL1978757

CNCC(c1ccc(Cl)cc1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.49
SLC6A4 P31645 12/20 0.49
SLC6A3 Q01959 10/20 0.49
KMT2A Q03164 2/20 0.43
CNR1 P21554 3/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HTR2A P28223 1/20 0.40
CYP3A4 P08684 7/20 0.39
CYP2D6 P10635 7/20 0.39
KCNH2 Q12809 5/20 0.39
CHRNA7 P36544 1/20 0.38

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
SCHEMBL6412552 0.90 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL12348026 0.85 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL1979887 0.85 SLC6A4 (0.65) SLC6A2SLC6A4SLC6A3CNR1HTR2A
SCHEMBL16380617 0.83 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL1977932 0.82 HTR2A (0.56) SLC6A2SLC6A4SLC6A3KMT2ACNR1
SCHEMBL3365421 0.82 KMT2A (0.41) SLC6A2SLC6A4SLC6A3KMT2ACNR1
SCHEMBL1980144 0.81 TDP1 (0.56) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL13114042 0.81 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1978330 0.79 ALDH1A1 (0.48) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL14493818 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KMT2ACNR1

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 51 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
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-2007125320-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125320-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO 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-2006136823-A1 HETEROCYCLIC CONTAINING AMINES AS KINASE B INHIBITORS 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 (2 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 SLC6A2 4587/4885SLC6A4 4440/4885SLC6A3 3932/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 SLC6A2 4587/4885SLC6A4 4440/4885SLC6A3 3932/4885

“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.