SCHEMBL1521829

SCHEMBL1521829

Cn1ccnc1-c1[c]cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 3/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC4 P56524 2/20 0.38
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
LPO P22079 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
CYP2D6 P10635 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
SCHEMBL8016792 0.79 NPC1 (0.31) NPC1
SCHEMBL28358386 0.75 BRD4 (0.41) BRD4KDM4ECASP1CASP7HSD17B10
SCHEMBL10913548 0.75
SCHEMBL2649520 0.73 SMN1; SMN2 (0.41) HTR2C
SCHEMBL28357972 0.73 BRD4 (0.38) BRD4KDM4ECASP1CASP7HSD17B10
SCHEMBL10913080 0.72 PARP1 (0.39) ESR1
SCHEMBL17654316 0.71 MC4R (0.34) BRD4
SCHEMBL1671553 0.71 HTR2C (0.34) KDM4ECASP1CASP7HTR2CKMT2A
SCHEMBL16720185 0.71 BRD4 (0.38) BRD4KDM4ECASP1CASP7HSD17B10
SCHEMBL786747 0.71 HDAC4 (0.52) BRD4KDM4ECASP1CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1987007611-A1 PROCESS FOR DNA LABELLING EUROPÄISCHES LABORATORIUM FÜR MOLEKULARBIOLOGIE (E (DE) 1987-12-17 WO claimed
EP-0007678-B1 OXIME ETHERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ACF CHEMIEFARMA NV (NL) 1983-03-30 EP claimed
WO-2023152042-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2023-08-17 WO disclosed
CN-110669052-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2022-10-11 CN disclosed
EP-4017591-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-29 EP disclosed
CN-114206856-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2022-03-18 CN disclosed
WO-2021032687-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-25 WO disclosed
WO-2020045316-A1 MODIFIER FOR POLYMER, PRODUCTION METHOD FOR MODIFIED CONJUGATED-DIENE POLYMER, MODIFIED CONJUGATED-DIENE POLYMER, RUBBER COMPOSITION, TIRE, AND RUBBER BELT 宇部興産株式会社 2020-03-05 WO disclosed
CN-110669052-A Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-01-10 CN disclosed
US-7906556-B2 Methods of treating amyloidosis using cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20030059789-A1 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF 2003-03-27 US disclosed
WO-2003003014-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF AND PURIFYING CHEMICALLY SYNTHESIZED NUCLEIC ACIDS VERI-Q, INC. (US) 2003-01-09 WO disclosed
US-20020155989-A1 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF 2002-10-24 US disclosed
US-6333336-B1 GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION MERCK SHARP & DOHME LTD. (GB) 2001-12-25 US disclosed
EP-1064283-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-01-03 EP disclosed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 WO disclosed
WO-1999037636-A1 HETEROCYCLYL-DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 1999-07-29 WO disclosed
WO-1987007611-A1 PROCESS FOR DNA LABELLING EUROPÄISCHES LABORATORIUM FÜR MOLEKULARBIOLOGIE (E (DE) 1987-12-17 WO disclosed
US-4472421-A SHAMPOO BAYER AKTIENGESELLSCHAFT (DE) 1984-09-18 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 (1 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-20020155989-A1 Oligonucleotide analogues, methods of synthesis and methods of use HIRA, PHAX, SSU72 BRD4 4114/4885KDM4E 4250/4885CASP1 4590/4885

“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.