SCHEMBL2016909

SCHEMBL2016909

COc1ccc(CN2CCCCC(Br)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
GRM2 Q14416 2/20 0.46
CMA1 P23946 1/20 0.45
PTGIR P43119 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MMP1 P03956 2/20 0.43
MMP13 P45452 1/20 0.43
CHRM2 P08172 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SRC P12931 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42

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
SCHEMBL8562132 0.90 GAA (0.56) GAAGRM2CMA1PTGIRALDH1A1
SCHEMBL8562128 0.90 GAA (0.56) GAAGRM2CMA1PTGIRALDH1A1
SCHEMBL3264320 0.84 GAA (0.52) GAAGRM2CMA1PTGIRALDH1A1
SCHEMBL5638987 0.84 GAA (0.49) GAAGRM2CMA1PTGIRALDH1A1
SCHEMBL9668344 0.83 HRH3 (0.54) ALDH1A1GSK3AGSK3BSIGMAR1HRH3
SCHEMBL20303824 0.81 HRH3 (0.50) GAAKDM4EMMP1MMP13SIGMAR1
SCHEMBL16885928 0.80 SMN1; SMN2 (0.54) SRC
SCHEMBL173296 0.80 GAA (0.51) GAAGRM2CMA1PTGIRGSK3A
SCHEMBL4510850 0.80 GAA (0.48) GAAGRM2CMA1PTGIRALDH1A1
SCHEMBL20304005 0.80 KDM4E (0.47) GAAKDM4EMMP1MMP13HRH3

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 10 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
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
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
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 GAA 1449/4885GRM2 3615/4885CMA1 148/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK GAA 1449/4885GRM2 3615/4885CMA1 148/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK GAA 1449/4885GRM2 3615/4885CMA1 148/4885

“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.