SCHEMBL2014678

SCHEMBL2014678

COC(=O)C1CCCC(=O)CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 1/20 0.35
OPRK1 P41145 3/20 0.34
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.33
SRD5A2 P31213 1/20 0.33
LMNA P02545 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
SCHEMBL2013946 0.90 ATM (0.37) HTTALDH1A1ATML3MBTL1GAA
SCHEMBL2505350 0.90 ATM (0.37) HTTALDH1A1ATML3MBTL1GAA
SCHEMBL14375557 0.78 ATM (0.41) HTTALDH1A1ATML3MBTL1CYP1A2
SCHEMBL11708816 0.78 ATM (0.41) HTTALDH1A1ATML3MBTL1CYP1A2
SCHEMBL11284836 0.77 ATM (0.40) HTTATML3MBTL1MAPTNPSR1
SCHEMBL812670 0.75 ATM (0.36) HTTALDH1A1ATML3MBTL1GAA
SCHEMBL18211321 0.74 ATM (0.46) ALDH1A1ATML3MBTL1CYP1A2HIF1A
SCHEMBL17467688 0.72 THRB (0.39) THRBALDH1A1ATML3MBTL1GAA
SCHEMBL17611826 0.72 THRB (0.39) THRBALDH1A1ATML3MBTL1GAA
SCHEMBL17621462 0.72 THRB (0.39) THRBALDH1A1ATML3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO 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 THRB 2139/4885HTT 4827/4885ALDH1A1 1614/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK THRB 2139/4885HTT 4827/4885ALDH1A1 1614/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK THRB 2139/4885HTT 4827/4885ALDH1A1 1614/4885

“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.