SCHEMBL10187962

SCHEMBL10187962

Brc1cnc(NC2CCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HDAC3 O15379 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ ULK1 O75385 1/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ PAK1 Q13153 1/20 0.42
▸ ACACB O00763 4/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ CTSK P43235 1/20 0.37

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
SCHEMBL12237657 0.96 KDM4E (0.59) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL248829 0.91 MAPK1 (0.48) KDM4EGAAHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL1669811 0.89 MAPK1 (0.47) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL4701457 0.82 IGF1R (0.46) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL1332209 0.82 GRM5 (0.49) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL16039970 0.82 MAPK8 (0.49) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL16039969 0.82 MAPK8 (0.49) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL1256168 0.82 MAPK1 (0.69) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL1332208 0.82 GRM5 (0.49) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL12125228 0.82 GRM5 (0.49) KDM4EGAAHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242507-A1 INDAZOLE-FUSED CYCLIC COMPOUND Zhejiang Yangli Pharmaceutical Technology Co., Ltd. (CN) 2023-08-03 — — US disclosed
EP-3741751-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzhou Healthquest Pharma Co., Ltd. (CN) 2020-11-25 — — EP disclosed
EP-2986604-B1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
EP-2797884-B1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-04-13 — — EP disclosed
EP-2797884-B1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-04-13 — — EP disclosed
EP-2986604-A1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2016-02-24 — — EP disclosed
US-8962641-B2 Pyrimidine-substituted pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-24 — — US disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — WO disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — US disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — US disclosed
WO-2010012747-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 — — WO 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 (4 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-20110263565-A1 COMPOUNDS MKI67, CCNA1, CCNT1 KDM4E 1623/4885GAA 456/4885HDAC3 2084/4885
US-20230242507-A1 INDAZOLE-FUSED CYCLIC COMPOUND SLC5A11, CYP11B2, CYP4F11 KDM4E 3941/4885GAA 2258/4885HDAC3 879/4885
US-20130158004-A1 Azetidine Derivatives GPR119, LIPE, LPL KDM4E 1022/4885GAA 36/4885HDAC3 1732/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G KDM4E 4276/4885GAA 208/4885HDAC3 2085/4885

“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.

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