SCHEMBL17536742

SCHEMBL17536742

Cc1cc(Nc2ncnc(C)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.80
JAK2 O60674 1/20 0.80
NTRK1 P04629 1/20 0.80
FYN P06241 1/20 0.80
FGR P09769 1/20 0.80
SRC P12931 1/20 0.80
FER P16591 1/20 0.80
SLC6A2 P23975 1/20 0.80
ZAP70 P43403 1/20 0.80
NTRK3 Q16288 1/20 0.80
CYSLTR2 Q9NS75 1/20 0.80
CYSLTR1 Q9Y271 1/20 0.80
HRH3 Q9Y5N1 1/20 0.80

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
SCHEMBL17536815 1.00 SYK (0.80) SYKJAK2NTRK1FYNFGR
SCHEMBL16198341 1.00 SYK (0.80) SYKJAK2NTRK1FYNFGR
SCHEMBL16198109 1.00 SYK (0.80) SYKJAK2NTRK1FYNFGR
SCHEMBL2046206 0.90 SYK (0.85) SYKJAK2NTRK1FYNFGR
SCHEMBL2043726 0.90 SYK (0.85) SYKJAK2NTRK1FYNFGR
SCHEMBL2017278 0.89 SYK (0.78) SYKJAK2NTRK1FYNFGR
Mrl-Syki SCHEMBL29709899 0.89 SYK (1.00) SYKJAK2NTRK1FYNFGR
SCHEMBL2016581 0.89 SYK (0.78) SYKJAK2NTRK1FYNFGR
Mrl-Syki SCHEMBL2501206 0.89 SYK (1.00) SYKJAK2NTRK1FYNFGR
Mrl-Syki SCHEMBL2502682 0.89 SYK (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 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 (1 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-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK SYK 1/4885JAK2 5/4885NTRK1 1983/4885

“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.