SCHEMBL4829328

SCHEMBL4829328

CCCCCCCc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.58
TAAR1 Q96RJ0 3/20 0.52
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
AOC3 Q16853 1/20 0.48
HTT P42858 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
CHRM2 P08172 1/20 0.46
PNMT P11086 1/20 0.45
IDO1 P14902 1/20 0.45
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
EP300 Q09472 1/20 0.45

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
SCHEMBL5271594 1.00 LIPG (0.58) LIPGTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28250901 1.00 LIPG (0.58) LIPGTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL196431 1.00 LIPG (0.58) LIPGTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL5598971 1.00 LIPG (0.58) LIPGTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL5599139 1.00 LIPG (0.58) LIPGTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3694247 1.00 LIPG (0.58) LIPGTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL19391066 1.00 LIPG (0.58) LIPGTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11658176 1.00 LIPG (0.58) LIPGTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL31444780 1.00 LIPG (0.58) LIPGTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL31445158 0.98 LIPG (0.56) LIPGTAAR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024063116-A1 ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2024-03-28 WO disclosed
US-20220177476-A1 Crystal Forms of (S)-4-(8-amino-3-(1-(but-2-ynoyl)-pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-n-(pyridin-2-yl)benzamide ACERTA PHARMA BV (NL) 2022-06-09 US disclosed
US-10640509-B2 Pharmaceutical composition comprising a crystal form of (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide for treating diffuse large B-cell lymphoma ACERTA PHARMA B.V. (NL) 2020-05-05 US disclosed
US-20190337949-A1 Solid Forms and Formulations of Imidazopyrazine Compound ACERTA PHARMA B.V. (NL) 2019-11-07 US disclosed
US-9796721-B2 Crystal forms of (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide ACERTA PHARMA B.V. (NL) 2017-10-24 US disclosed
US-20170029428-A1 Solid Forms and Formulations of Imidazopyrazine Compound ACERTA PHARMA B.V. (NL) 2017-02-02 US disclosed
US-7375250-B2 Aminoanthryl derivative substitution compound and organic electroluminescence device using the same CANON KABUSHIKI KAISHA (JP) 2008-05-20 US disclosed
US-7358409-B2 Substituted anthryl derivative and electroluminescence device using the same CANON KABUSHIKI KAISHA (JP) 2008-04-15 US disclosed
US-7309533-B2 Substituted anthryl derivative and electroluminescence device using the same CANON KABUSHIKI KAISHA (JP) 2007-12-18 US disclosed
US-7173131-B2 Anthryl derivative group substituted compound, and organic luminescent device making use of same CANON KABUSHIKI KAISHA (JP) 2007-02-06 US disclosed
US-20050099115-A1 Substituted anthryl derivative and electoluminescence device using the same CANON KABUSHIKI KAISHA (JP) 2005-05-12 US disclosed
US-20040263067-A1 Anthryl derivative group substituted compound, and organic luminescent device making use of same CANON KABUSHIKI KAISHA (JP) 2004-12-30 US disclosed
EP-0643682-A4 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 2-SUBSTITUTED BENZALDEHYDES. SMITHKLINE BEECHAM CORP (US) 1995-06-07 EP disclosed
EP-0643682-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 2-SUBSTITUTED BENZALDEHYDES SMITHKLINE BEECHAM CORPORATION (US) 1995-03-22 EP disclosed
WO-1993019033-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 2-SUBSTITUTED BENZALDEHYDES SMITHKLINE BEECHAM CORPORATION (US) 1993-09-30 WO disclosed
EP-0179953-B1 MOLDING COMPOSITION ARCO CHEMICAL TECHNOLOGY, INC. (US) 1989-08-23 EP disclosed
EP-0134026-B1 A METHOD OF MANUFACTURING A MACROMOLECULAR MATERIAL CONDUCTING CURRENT ON ITS SURFACE POLSKA AKADEMIA NAUK CENTRUMBADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH (PL) 1987-10-14 EP disclosed
EP-0179953-A1 Molding composition ARCO CHEMICAL TECHNOLOGY, INC. (US) 1986-05-07 EP disclosed
US-4485215-A EPDM RUBBER, OLEFIN-ACRYLATE COPOLYMER, AROMATIC-NITRILE- MALEIMIDE TERPOLYMER ATLANTIC RICHFIELD COMPANY (US) 1984-11-27 US disclosed
US-4483966-A CATALYTIC VAPOR PHASE POLYMERIZATION WITH COORIDNATION CATALYST CHISSO CORPORATION (JP) 1984-11-20 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-20220177476-A1 Crystal Forms of (S)-4-(8-amino-3-(1-(but-2-ynoyl)-pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-n-(pyridin-2-yl)benzamide ALB, NPY5R, PGA5 LIPG 4717/4885TAAR1 3261/4885SLC6A2 1666/4885
US-10640509-B2 Pharmaceutical composition comprising a crystal form of (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide for treating diffuse large B-cell lymphoma MALT1, BCL6, BCL3 LIPG 3252/4885TAAR1 4357/4885SLC6A2 2354/4885
US-20190337949-A1 Solid Forms and Formulations of Imidazopyrazine Compound SLC5A2, IL5, NPY5R LIPG 4858/4885TAAR1 3703/4885SLC6A2 1207/4885
US-20170029428-A1 Solid Forms and Formulations of Imidazopyrazine Compound SLC5A2, IL5, NPY5R LIPG 4858/4885TAAR1 3703/4885SLC6A2 1207/4885
US-20050099115-A1 Substituted anthryl derivative and electoluminescence device using the same ALAD, ERAL1, LAGE3 LIPG 166/4885TAAR1 1567/4885SLC6A2 4156/4885
US-20040263067-A1 Anthryl derivative group substituted compound, and organic luminescent device making use of same ALAD, AAAS, NLRP1 LIPG 2177/4885TAAR1 3063/4885SLC6A2 4432/4885

“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.