Heptane

Heptane

SCHEMBL4829326

CCCCCCC.Clc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
NAAA Q02083 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DNM1 Q05193 2/20 0.45
KCNH2 Q12809 3/20 0.44
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.44
PKM P14618 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
Nonane SCHEMBL10388435 1.00 TSHR (0.58) TSHRSMN1; SMN2NAAASIGMAR1DNM1
Chlorobenzene SCHEMBL2952823 0.97 TSHR (0.61) TSHRSMN1; SMN2NAAASIGMAR1DNM1
Chlorobenzene SCHEMBL27347602 0.95 TSHR (0.58) TSHRSMN1; SMN2NAAASIGMAR1DNM1
Chlorobenzene SCHEMBL19332300 0.92 TSHR (0.61) TSHRSMN1; SMN2NAAASIGMAR1TP53
Chlorobenzene SCHEMBL11251710 0.91 TSHR (0.56) TSHRSMN1; SMN2NAAASIGMAR1DNM1
Chlorobenzene SCHEMBL28460320 0.89 DNM1 (0.54) TSHRSMN1; SMN2DNM1EPHX1ALDH1A1
Octanol SCHEMBL6839224 0.89 LMNA (0.54) TSHRSMN1; SMN2NAAAEPHX1ALDH1A1
Octadecylamine SCHEMBL28143508 0.89 DNM1 (0.54) TSHRSMN1; SMN2DNM1EPHX1ALDH1A1
1-Hexanol SCHEMBL5309008 0.89 LMNA (0.54) TSHRSMN1; SMN2NAAAEPHX1ALDH1A1
Chlorobenzene SCHEMBL27309000 0.89 DNM1 (0.54) TSHRSMN1; SMN2DNM1EPHX1ALDH1A1

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 22 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-7129386-B2 Substituted anthryl derivative and electroluminescence device using the same CANON KABUSHIKI KAISHA (JP) 2006-10-31 US disclosed
US-20060125378-A1 Aminoanthryl derivative substitution compound and organic electroluminescence device using the same CANON KABUSHIKI KAISHA (JP) 2006-06-15 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-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
EP-0021822-A1 Titanium trichloride catalytic component and method for homo- or co-polymerization of alpha-olefins TOYO STAUFFER CHEMICAL CO. LTD. (JP) 1981-01-07 EP 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 (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-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 TSHR 3297/4885SMN1; SMN2 1166/4885NAAA 580/4885
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 TSHR 3654/4885SMN1; SMN2 1580/4885NAAA 1664/4885
US-20190337949-A1 Solid Forms and Formulations of Imidazopyrazine Compound SLC5A2, IL5, NPY5R TSHR 3399/4885SMN1; SMN2 550/4885NAAA 1554/4885
US-20060125378-A1 Aminoanthryl derivative substitution compound and organic electroluminescence device using the same ALAD, TYR, DDC TSHR 4020/4885SMN1; SMN2 4350/4885NAAA 724/4885
US-20170029428-A1 Solid Forms and Formulations of Imidazopyrazine Compound SLC5A2, IL5, NPY5R TSHR 3399/4885SMN1; SMN2 550/4885NAAA 1554/4885
US-20050099115-A1 Substituted anthryl derivative and electoluminescence device using the same ALAD, ERAL1, LAGE3 TSHR 2029/4885SMN1; SMN2 3545/4885NAAA 222/4885
US-20040263067-A1 Anthryl derivative group substituted compound, and organic luminescent device making use of same ALAD, AAAS, NLRP1 TSHR 4384/4885SMN1; SMN2 4478/4885NAAA 26/4885

“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.