SCHEMBL2015282

SCHEMBL2015282

COC(=O)C1CCC(=O)C=C1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 2/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 2/20 0.33
TLR4 O00206 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 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
SCHEMBL17118109 0.84 TLR4 (0.49) ALDH1A1KDM4EHPGDMAPTTLR4
SCHEMBL1141761 0.84 TLR4 (0.49) ALDH1A1KDM4EHPGDMAPTTLR4
SCHEMBL24249958 0.84 TLR4 (0.49) ALDH1A1KDM4EHPGDMAPTTLR4
SCHEMBL20077532 0.83 MAPK1 (0.45) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL17110215 0.81 SERPINA6 (0.34) ALDH1A1HIF1AKDM4ECYP2C9CYP2C19
SCHEMBL17048600 0.81 MMP2 (0.33) MAPT
SCHEMBL2016163 0.77 ALDH1A1 (0.37) ALDH1A1CYP1A2HIF1AKDM4ECYP2C9
SCHEMBL7644165 0.76 SLC6A3 (0.38) ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL11711912 0.76 GAA (0.33) ALDH1A1HPGDL3MBTL1
SCHEMBL3628762 0.74

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083560-B1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
EP-3083559-B1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2021-03-10 EP disclosed
EP-2988749-B1 THIAZOLE-SUBSTITUTED AMINOPYRIMIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-08-14 EP disclosed
EP-2934525-B1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-05-08 EP disclosed
EP-2706852-B1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-22 EP disclosed
EP-3082807-B1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-07-04 EP disclosed
EP-2900665-B1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-01-03 EP disclosed
US-9822107-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-9783531-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
WO-2014100314-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
EP-2706852-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-19 EP disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 WO 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
WO-2011075517-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 (2 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 ALDH1A1 1614/4885CYP1A2 728/4885HIF1A 2320/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK ALDH1A1 1614/4885CYP1A2 728/4885HIF1A 2320/4885

“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.