SCHEMBL2863807

SCHEMBL2863807

N#CCc1ccccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 3/20 0.44
METAP2 P50579 1/20 0.42
PARP1 P09874 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MEN1 O00255 2/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CFTR P13569 1/20 0.38
BRD4 O60885 1/20 0.38
GAA P10253 1/20 0.38

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
Selenium SCHEMBL29994193 0.96 BCAT2 (0.43) BCAT2HPGDALDH1A1MAPTKDM4E
SCHEMBL4137654 0.84 ALDH1A1 (0.47) HPGDALDH1A1MAPTKDM4ETSHR
SCHEMBL6375180 0.84 PARP1 (0.39) BCAT2HPGDALDH1A1MAPTKDM4E
SCHEMBL2422410 0.82 FOLH1 (0.53) HPGDALDH1A1MAPTKDM4ETSHR
SCHEMBL5747184 0.82 BTK (0.42) BCAT2HPGDALDH1A1MAPTKDM4E
SCHEMBL633639 0.82 HPGD (0.39) BCAT2HPGDALDH1A1MAPTKDM4E
SCHEMBL4347735 0.81 ALDH1A1 (0.42) BCAT2HPGDALDH1A1MAPTKDM4E
SCHEMBL1901533 0.81 KDM4E (0.45) BCAT2HPGDALDH1A1MAPTKDM4E
SCHEMBL11388477 0.81 ALDH1A1 (0.44) HPGDALDH1A1MAPTKDM4ETSHR
SCHEMBL31722804 0.81 ALDH1A1 (0.44) HPGDALDH1A1MAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030561-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE Cadila Healthcare Limited (IN) 2016-06-15 EP claimed
EP-3023422-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2016-05-25 EP claimed
WO-2015019365-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2015-02-12 WO claimed
EP-2152701-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF Cytopia Research Pty Ltd (AU) 2010-02-17 EP claimed
WO-2008109943-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD (AU) 2008-09-18 WO claimed
EP-0210893-B1 BENZAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE Laboratoires DELAGRANGE, Société Anonyme (FR) 1990-10-03 EP claimed
EP-0210893-A1 Benzamides, process for their preparation and their therapeutical use Laboratoires DELAGRANGE, Société Anonyme (FR) 1987-02-04 EP claimed
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 EP disclosed
WO-2023031308-A1 CCR2 INHIBITORS ARTICA THERAPEUTICS B.V. (NL) 2023-03-09 WO disclosed
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof SIERRA ONCOLOGY, INC. (US) 2022-12-08 US disclosed
EP-3911645-B1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIV LILLE (FR) 2022-12-07 EP disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 US disclosed
US-20220073475-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIVERSITÉ PARIS CITÉ (FR) 2022-03-10 US disclosed
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO disclosed
EP-0210893-B1 BENZAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE Laboratoires DELAGRANGE, Société Anonyme (FR) 1990-10-03 EP disclosed
US-4703055-A GASTROMOTOR AGENTS; NO SIDE EFFECTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1987-10-27 US disclosed
US-4663481-A BROMINATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-05 US disclosed
EP-0210893-A1 Benzamides, process for their preparation and their therapeutical use Laboratoires DELAGRANGE, Société Anonyme (FR) 1987-02-04 EP disclosed
EP-0144177-A1 Preparation of bromoacetamides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-12 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 (3 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-20220073475-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE HDAC5, HDAC6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 BCAT2 1426/4885HPGD 125/4885ALDH1A1 535/4885
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof JAK2, JAK1, JAK3 BCAT2 116/4885HPGD 1481/4885ALDH1A1 2269/4885
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 BCAT2 2250/4885HPGD 718/4885ALDH1A1 435/4885

“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.