SCHEMBL10188909

SCHEMBL10188909

CC(=O)/C=C/CN1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
ELANE P08246 5/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM1 P11229 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM3 P20309 2/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL17251265 0.98 ALDH1A1 (0.39) ALDH1A1HTTELANEMEN1CYP2C19
SCHEMBL18135220 0.96 ELANE (0.33) ALDH1A1HTTELANEMEN1CYP2C19
SCHEMBL23841380 0.83 NPSR1 (0.33) ALDH1A1MAPT
SCHEMBL18909606 0.83 PAOX (0.43) ALDH1A1MAPTPOLBHPGD
SCHEMBL17532545 0.82 CHRM5 (0.40) MEN1KMT2ACHRM5CHRM3POLB
SCHEMBL21625325 0.82 GAA (0.33) ALDH1A1GAAPOLB
SCHEMBL14165795 0.82 KDM4E (0.42) ALDH1A1MEN1KMT2A
SCHEMBL14165793 0.82 KDM4E (0.42) ALDH1A1MEN1KMT2A
SCHEMBL19942941 0.81 CYP2D6 (0.35) ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL20334365 0.80 KMT2A (0.35) ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4265616-A1 SPIROCYCLIC COMPOUND AS KRAS-G12C INHIBITOR Shanghai Euregen Biopharma Co., Ltd. (CN) 2023-10-25 EP disclosed
EP-3377484-B1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
EP-4014977-A1 PYRIMIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY FOR USE IN TREATING CANCER Merck Patent GmbH (DE) 2022-06-22 EP disclosed
EP-2718270-B1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2022-04-27 EP disclosed
WO-2021249563-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2021-12-16 WO disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 US disclosed
EP-3858833-A1 AMINONORDECANE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-08-04 EP disclosed
EP-3268000-B1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2021-08-04 EP disclosed
WO-2021058018-A1 INHIBITORS OF KRAS G12C BEIGENE, LTD. (KY) 2021-04-01 WO disclosed
WO-2021057998-A1 PREPARATION METHOD FOR PYRROLOAMINOPYRIDAZINONE COMPOUND 上海森辉医药有限公司 2021-04-01 WO disclosed
US-9580449-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
WO-2016193939-A1 SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-12-08 WO disclosed
WO-2016142855-A2 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-09-15 WO disclosed
WO-2015178955-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2015-11-26 WO disclosed
WO-2015169233-A1 INHIBITOR OF BRUTON'S TYROSINE KINASE 北京赛林泰医药技术有限公司 2015-11-12 WO disclosed
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-9073947-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2015-07-07 US disclosed
WO-2014089913-A1 BICYCLIC COMPOUND FUNCTIONING AS TYROSINE KINASE INHIBITOR 山东亨利医药科技有限责任公司 (CN) 2014-06-19 WO disclosed
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 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 (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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors MAP3K20, MAP3K6, MAP3K19 ALDH1A1 3156/4885HTT 3984/4885ELANE 4020/4885
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA ALDH1A1 638/4885HTT 581/4885ELANE 4036/4885
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK ALDH1A1 3674/4885HTT 4589/4885ELANE 2686/4885
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK ALDH1A1 3674/4885HTT 4589/4885ELANE 2686/4885

“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.