Sugi Predict

Sugi Predict / Compounds / SCHEMBL1977652

SCHEMBL1977652

SCHEMBL1977652

Clc1ccc(C2(c3ccccc3)CCNCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.77
▸ HTR2A P28223 1/20 0.60
▸ AKT2 P31751 3/20 0.56
▸ AKT1 P31749 2/20 0.56
▸ AKT3 Q9Y243 2/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ PTGDR2 Q9Y5Y4 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ PRKACG P22612 1/20 0.48
▸ PRKACB P22694 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TACR1 P25103 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD11B1 P28845 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39

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
Hydrochloric Acid SCHEMBL1764619 0.98 OPRM1 (0.74) OPRM1HTR2AAKT2AKT1AKT3
SCHEMBL1764806 0.92 DRD2 (0.64) OPRM1HTR2AAKT2AKT1AKT3
SCHEMBL738518 0.88 OPRM1 (1.00) OPRM1HTR2AAKT2AKT1AKT3
Hydrochloric Acid SCHEMBL1765284 0.86 OPRM1 (0.95) OPRM1HTR2AAKT2DRD2TACR1
SCHEMBL1765209 0.83 AKT2 (0.55) OPRM1HTR2AAKT2AKT1AKT3
SCHEMBL1978830 0.83 AKT2 (0.55) OPRM1HTR2AAKT2AKT1AKT3
SCHEMBL12346688 0.83 OPRM1 (0.58) OPRM1HTR2AAKT2AKT1AKT3
Hydrochloric Acid SCHEMBL1978889 0.81 AKT2 (0.54) OPRM1HTR2AAKT2AKT1AKT3
SCHEMBL1257446 0.81 OPRM1 (0.77) OPRM1HTR2AAKT2AKT1AKT3
SCHEMBL1980179 0.80 AKT2 (0.52) OPRM1HTR2AAKT2AKT1AKT3

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 OPRM1 1070/4885HTR2A 907/4885AKT2 124/4885
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS PRKCB, MAP3K19, MAP4K2 OPRM1 3725/4885HTR2A 3715/4885AKT2 146/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 OPRM1 937/4885HTR2A 862/4885AKT2 114/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 OPRM1 390/4885HTR2A 554/4885AKT2 37/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 OPRM1 836/4885HTR2A 899/4885AKT2 214/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 OPRM1 937/4885HTR2A 862/4885AKT2 114/4885

“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.