SCHEMBL282741

SCHEMBL282741

CCc1nc(C#N)c(Cl)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL29452951 1.00 GLA (0.42) GLAHTTKDM4EGAAL3MBTL1
SCHEMBL11093101 0.89 HTT (0.43) GLAHTTKDM4EGAAL3MBTL1
SCHEMBL8144119 0.89 HTT (0.47) GLAHTTKDM4EGAAL3MBTL1
SCHEMBL4412358 0.84 GLA (0.40) GLAHTTKDM4EGAAL3MBTL1
SCHEMBL31257953 0.82 GLA (0.39) GLAHTTKDM4EGAAL3MBTL1
SCHEMBL21915027 0.82 ALDH1A1 (0.42) GLAHTTKDM4EGAAALDH1A1
SCHEMBL21915029 0.82 GLA (0.39) GLAHTTKDM4EGAAL3MBTL1
SCHEMBL4412381 0.80 HTT (0.44) GLAHTTKDM4EGAAL3MBTL1
SCHEMBL6872415 0.80 GLA (0.41) GLAHTTKDM4EL3MBTL1ALDH1A1
SCHEMBL19436393 0.77 GLA (0.37) GLAHTTKDM4EGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360146-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-10-31 US disclosed
EP-4342892-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2024-03-27 EP disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed
CN-111423387-B Preparation method of Giltertinib key intermediate 苏州康纯医药科技有限公司 2022-03-08 CN disclosed
CN-111423387-B Preparation method of Giltertinib key intermediate 苏州康纯医药科技有限公司 2022-03-08 CN disclosed
CN-111423387-A Preparation method of Giltertinib key intermediate 苏州康纯医药科技有限公司 2020-07-17 CN disclosed
CN-111423387-A Preparation method of Giltertinib key intermediate 苏州康纯医药科技有限公司 2020-07-17 CN disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
CN-102421761-B Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2014-06-18 CN disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 GLA 4240/4885HTT 3739/4885KDM4E 39/4885
US-20240360146-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF BTK, ZAP70, SYK GLA 2717/4885HTT 4401/4885KDM4E 849/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 GLA 4240/4885HTT 3739/4885KDM4E 39/4885

“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.