SCHEMBL2456941

SCHEMBL2456941

Cc1ncn2nc[nH]c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
PARP1 P09874 6/20 0.35
ALDH1A1 P00352 2/20 0.35
BRD4 O60885 3/20 0.35
HTT P42858 1/20 0.33
PDPK1 O15530 4/20 0.33
PIM1 P11309 2/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PRKCQ Q04759 1/20 0.32
DYRK1A Q13627 1/20 0.32
PIM3 Q86V86 1/20 0.32

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
SCHEMBL18956248 0.78 NR1H2 (0.36) NR1H2PARP1ALDH1A1PDPK1PIM1
SCHEMBL6201737 0.77 NR1H2 (0.42) NR1H2ALDH1A1BRD4
SCHEMBL5989848 0.70 KDM4E (0.37) ALDH1A1KDM4E
SCHEMBL13189585 0.70 NR1H2 (0.45) NR1H2PARP1ALDH1A1BRD4HTT
SCHEMBL2445832 0.70 NR1H2 (0.39) NR1H2PARP1ALDH1A1BRD4HTT
SCHEMBL11971301 0.69 ALDH1A1 (0.38) NR1H2ALDH1A1BRD4
SCHEMBL24458506 0.68 NR1H2 (0.43) NR1H2PARP1ALDH1A1BRD4PDPK1
SCHEMBL4050177 0.68 NR1H2 (0.46) NR1H2PARP1ALDH1A1BRD4PDPK1
SCHEMBL5988830 0.68 XDH (0.35) KDM4E
SCHEMBL24393300 0.67 MEN1 (0.38) ALDH1A1HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497401-B2 Substituted tetrazoles as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-12-16 US disclosed
US-20240101561-A1 NOVEL TETRAZOLES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-03-28 US disclosed
EP-4045053-B1 NOVEL TETRAZOLES BOEHRINGER INGELHEIM INT (DE) 2023-12-06 EP disclosed
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
EP-3741758-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-11-25 EP disclosed
US-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-12 US disclosed
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
WO-2017064068-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2017-04-20 WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
WO-2008057402-A2 N-ARYL-ISOXAZOLOPYRIMIDIN-4-AMINES AND RELATED COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-05-15 WO disclosed
US-20060264624-A1 Methods for synthesizing imidazotriazinones LEXICON GENETICS INCORPORATED 2006-11-23 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-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF BRD4, BRD1, BRD3 NR1H2 414/4885PARP1 300/4885ALDH1A1 3333/4885
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF NR1H2 3227/4885PARP1 1557/4885ALDH1A1 3179/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 NR1H2 521/4885PARP1 3336/4885ALDH1A1 665/4885
US-20240101561-A1 NOVEL TETRAZOLES TRPA1, TRPV1, TRPV5 NR1H2 1582/4885PARP1 3747/4885ALDH1A1 1405/4885
US-12497401-B2 Substituted tetrazoles as TRPA1 inhibitors TRPA1, TRPV1, TRPV2 NR1H2 1363/4885PARP1 3093/4885ALDH1A1 1673/4885
US-20060264624-A1 Methods for synthesizing imidazotriazinones PDE3A, PDE2A, PDE3B NR1H2 3236/4885PARP1 1657/4885ALDH1A1 1422/4885

“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.