SCHEMBL2014447

SCHEMBL2014447

COc1ccnc(Nc2cc(C)cc(-c3cnc(C4(O)CCC(C(=O)O)C(C)C4)s3)c2)n1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.78
JAK2 O60674 1/20 0.60
NTRK1 P04629 1/20 0.60
FYN P06241 1/20 0.60
FGR P09769 1/20 0.60
SRC P12931 1/20 0.60
FER P16591 1/20 0.60
SLC6A2 P23975 1/20 0.60
ZAP70 P43403 1/20 0.60
NTRK3 Q16288 1/20 0.60
CYSLTR2 Q9NS75 1/20 0.60
CYSLTR1 Q9Y271 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60

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
SCHEMBL2507333 0.93 SYK (0.76) SYKJAK2NTRK1FYNFGR
SCHEMBL2499817 0.92 SYK (0.73) SYKJAK2NTRK1FYNFGR
SCHEMBL2045114 0.92 SYK (0.72) SYKJAK2NTRK1FYNFGR
SCHEMBL2015947 0.91 SYK (0.82) SYKJAK2NTRK1FYNFGR
SCHEMBL13518073 0.91 SYK (0.82) SYKJAK2NTRK1FYNFGR
SCHEMBL2016249 0.91 SYK (0.82) SYKJAK2NTRK1FYNFGR
SCHEMBL2505065 0.91 SYK (0.82) SYKJAK2NTRK1FYNFGR
SCHEMBL2054139 0.91 SYK (0.82) SYKJAK2NTRK1FYNFGR
SCHEMBL2016556 0.89 SYK (0.79) SYKJAK2NTRK1FYNFGR
SCHEMBL2504461 0.89 SYK (0.79) SYKJAK2NTRK1FYNFGR

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
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
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 SYK 1/4885JAK2 23/4885NTRK1 3823/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK SYK 1/4885JAK2 23/4885NTRK1 3823/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK SYK 1/4885JAK2 23/4885NTRK1 3823/4885

“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.