SCHEMBL2498245

SCHEMBL2498245

COC(=O)C1CCC(OC)(c2ncc(Br)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
FPR2 P25090 13/20 0.35
FPR3 P25089 12/20 0.34
TMPRSS15 P98073 2/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2498242 1.00 KDM4E (0.37) KDM4EFPR2FPR3TMPRSS15PDGFRB
SCHEMBL2501756 0.86 SYK (0.41) KDM4EFPR2FPR3
SCHEMBL2054058 0.86 SYK (0.41) KDM4EFPR2FPR3
SCHEMBL2501757 0.86 SYK (0.41) KDM4EFPR2FPR3
SCHEMBL2039384 0.77 FPR2 (0.32) FPR2
SCHEMBL2036119 0.74 FPR2 (0.34) FPR2FPR3
SCHEMBL2497503 0.72 SYK (0.49) FPR2ALDH1A1SMN1; SMN2
SCHEMBL2015980 0.72 SYK (0.49) FPR2ALDH1A1SMN1; SMN2
SCHEMBL13517765 0.72 SYK (0.46) FPR2FPR3
SCHEMBL2497502 0.72 SYK (0.49) FPR2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513098-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-09 EP 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
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK KDM4E 715/4885FPR2 358/4885FPR3 924/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK KDM4E 715/4885FPR2 358/4885FPR3 924/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK KDM4E 715/4885FPR2 358/4885FPR3 924/4885

“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.