SCHEMBL209402

SCHEMBL209402

[c]1ccc(-c2ccncn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
GRM5 P41594 2/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.37
MAPK9 P45984 4/20 0.37
MAPK14 Q16539 3/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK10 P53779 2/20 0.36
GSK3B P49841 4/20 0.36
CAMKK2 Q96RR4 1/20 0.35
HDAC4 P56524 1/20 0.35
MAP4K4 O95819 2/20 0.34
EGFR P00533 2/20 0.34
FRK P42685 2/20 0.34
CSNK1A1 P48729 2/20 0.34
DCLK1 O15075 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL9903935 0.84 CYP2D6 (0.60) CYP2D6GRM5HSP90AA1MAPTMAPK9
SCHEMBL8499115 0.81 CYP2D6 (0.53) CYP2D6GRM5HSP90AA1MAPTMAPK9
Water SCHEMBL28117193 0.80 MAPK13 (0.53) CYP2D6GRM5HSP90AA1MAPK9MAPK14
SCHEMBL2131373 0.77 MAPK13 (0.54) CYP2D6GRM5HSP90AA1MAPK9MAPK14
SCHEMBL29500071 0.77 MAPK13 (0.54) CYP2D6GRM5HSP90AA1MAPK9MAPK14
SCHEMBL2115044 0.76 GRM5 (0.42) CYP2D6GRM5HSP90AA1MAPTMAPK9
SCHEMBL27926491 0.76 MAPK13 (0.53) CYP2D6GRM5HSP90AA1MAPK9MAPK14
Hydrochloric Acid SCHEMBL11869763 0.76 MAPK13 (0.53) CYP2D6GRM5HSP90AA1MAPK9MAPK14
SCHEMBL30595872 0.75 HSP90AA1 (0.52) CYP2D6GRM5HSP90AA1MAPTMAPK9
SCHEMBL2814353 0.75 HSP90AA1 (0.52) CYP2D6GRM5HSP90AA1MAPTMAPK9

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 258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
EP-3807265-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA Reata Pharmaceuticals, Inc. (US) 2021-04-21 EP claimed
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN claimed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US claimed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US claimed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US claimed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US claimed
CN-106414429-A Pyrazole compounds and their use as T-type calcium channel blockers 埃科特莱茵药品有限公司 2017-02-15 CN claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
WO-2007042784-A2 PYRIMIDIN-4-YL-3, 4-DIHYDR0-2H- PYRROLO [1, 2A] PYRAZIN-1-ONE COMPOUNDS CYCLACEL LIMITED (GB) 2007-04-19 WO claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP claimed
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G CYP2D6 827/4885GRM5 613/4885HSP90AA1 4681/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 CYP2D6 1700/4885GRM5 294/4885HSP90AA1 4506/4885
US-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R CYP2D6 775/4885GRM5 167/4885HSP90AA1 649/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP2D6 836/4885GRM5 962/4885HSP90AA1 3559/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA CYP2D6 1052/4885GRM5 1801/4885HSP90AA1 1635/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CYP2D6 827/4885GRM5 613/4885HSP90AA1 4681/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CYP2D6 827/4885GRM5 613/4885HSP90AA1 4681/4885

“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.