SCHEMBL2015627

SCHEMBL2015627

COC(=O)C(C)(C)OCC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
DGAT1 O75907 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
SRC P12931 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL2039281 0.83 ALDH1A1 (0.34) MGAMGAASIMGAM2DGAT1
SCHEMBL4128811 0.82 TSHR (0.39) DGAT1TP53RAB9ALMNAKMT2A
SCHEMBL26316213 0.80 DGAT1 (0.40) GAADGAT1
SCHEMBL26316122 0.78 CYP4F2 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL445544 0.76 DGAT1 (0.39) MGAMGAASIMGAM2DGAT1
SCHEMBL13391665 0.73 CYP4F2 (0.37) DGAT1ALDH1A1TP53RAB9ALMNA
SCHEMBL10359638 0.73 CYP4F2 (0.41) DGAT1ALDH1A1TP53RAB9ALMNA
SCHEMBL30343524 0.72 ALDH1A1 (0.48) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL6686581 0.72
SCHEMBL4122534 0.71 DGAT1 (0.35) DGAT1TP53RAB9ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK MGAM 3081/4885GAA 1449/4885SI 937/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK MGAM 3081/4885GAA 1449/4885SI 937/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK MGAM 3081/4885GAA 1449/4885SI 937/4885

“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.