Sugi Predict

Sugi Predict / Compounds / SCHEMBL1978003

SCHEMBL1978003

SCHEMBL1978003

ClCCC(Oc1cccc(Cl)c1)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.54
▸ HRH3 Q9Y5N1 2/20 0.43
▸ SLC6A2 P23975 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ OGG1 O15527 1/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 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
SCHEMBL14352375 0.85 SLC6A4 (0.51) SLC6A4HRH3SLC6A2CYP1A2CYP3A4
SCHEMBL27844310 0.84 SLC6A4 (0.49) SLC6A4HRH3SLC6A2CYP1A2CYP3A4
SCHEMBL1978784 0.84 SLC6A4 (0.79) SLC6A4SLC6A2CYP2D6
SCHEMBL6007102 0.83 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3
SCHEMBL6004084 0.82 SLC6A4 (0.49) SLC6A4HRH3SLC6A2KMT2A
SCHEMBL3031751 0.81 SLC6A4 (0.59) SLC6A4HRH3SLC6A2CYP1A2CYP3A4
SCHEMBL6005399 0.75 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL7050753 0.74 SLC6A4 (0.68) SLC6A4SLC6A2CYP2D6SLC6A3IDO1
SCHEMBL27422903 0.74 SLC6A4 (0.57) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL1987362 0.73 SLC6A4 (0.43) SLC6A4HRH3

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 23 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-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-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-8541461-B2 Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2013-09-24 — — 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-8247576-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2012-08-21 — — US disclosed
US-8247576-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2012-08-21 — — US disclosed
US-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-16 — — US disclosed
US-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-16 — — US disclosed
US-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-16 — — US 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-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

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 SLC6A4 4333/4885HRH3 715/4885SLC6A2 4600/4885
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS PRKCB, MAP3K19, MAP4K2 SLC6A4 4737/4885HRH3 4143/4885SLC6A2 4834/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 SLC6A4 4440/4885HRH3 662/4885SLC6A2 4587/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 SLC6A4 1890/4885HRH3 580/4885SLC6A2 2087/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 SLC6A4 4185/4885HRH3 539/4885SLC6A2 4546/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 SLC6A4 4440/4885HRH3 662/4885SLC6A2 4587/4885

“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.