SCHEMBL2017927

SCHEMBL2017927

NCc1cc(I)cc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
ENPP2 Q13822 1/20 0.32
ABAT P80404 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CASP6 P55212 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
SCHEMBL2491626 0.87 ACHE (0.48) ACHEENPP2CYP1A2CYP2D6CYP2C19
SCHEMBL8814719 0.87 ACHE (0.48) ACHEENPP2ABATKDM4ECASP6
SCHEMBL10167473 0.87 ACHE (0.48) ACHEENPP2ABATKDM4ECASP6
SCHEMBL9396245 0.82 ACHE (0.48) ACHEENPP2CYP1A2CYP2D6CYP2C19
SCHEMBL7697347 0.82 LOXL2 (0.36) ENPP2ABATCYP1A2CYP2D6CYP2C19
SCHEMBL19078822 0.78 LOXL2 (0.40) ACHEENPP2ABATKDM4ECASP6
SCHEMBL2028886 0.76 ACHE (0.39) ACHEENPP2ABATKDM4ECASP6
SCHEMBL15651082 0.76 ACHE (0.39) ACHECYP1A2CYP2D6CYP2C19THPO
SCHEMBL4335695 0.76 PNMT (0.46) ACHE
SCHEMBL16953198 0.76 ACHE (0.39) ACHEKDM4ECASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781563-B1 HPK1 INHIBITORS, PREPARATION METHOD AND APPLICATION THEREOF ZHUHAI YUFAN BIOTECHNOLOGIES CO LTD (CN) 2022-06-29 EP disclosed
US-20210276994-A1 HPK1 INHIBITORS, PREPARATION METHOD AND APPLICATION THEREOF Guangzhou Yufan Nantu Biotechnologies Co., Ltd (CN) 2021-09-09 US disclosed
EP-2706853-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2017-06-14 EP disclosed
US-9290490-B2 Aminopyrimidines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
CN-102858767-B As the aminopyrimidine of SYK inhibitor MERCK SHARP & DOHME CORP. (US) 2015-08-19 CN disclosed
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-05-29 US disclosed
EP-2706853-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-19 EP disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
CN-102858767-A Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME 2013-01-02 CN disclosed
WO-2012154519-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 WO disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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 (5 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK ACHE 1312/4885ENPP2 1053/4885ABAT 372/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK ACHE 1312/4885ENPP2 1053/4885ABAT 372/4885
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK ACHE 1794/4885ENPP2 938/4885ABAT 524/4885
US-20210276994-A1 HPK1 INHIBITORS, PREPARATION METHOD AND APPLICATION THEREOF PGK1, HK1, PDXK ACHE 4721/4885ENPP2 2613/4885ABAT 4359/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK ACHE 1312/4885ENPP2 1053/4885ABAT 372/4885

“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.