SCHEMBL2013971

SCHEMBL2013971

CC1(C)CC(O)CCC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
HSD11B1 P28845 7/20 0.37
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
STAT6 P42226 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL13736387 0.81 KMT2A (0.31)
SCHEMBL31586618 0.79 ATM (0.36) CYP2C19HIF1ACYP1A2TDP1
SCHEMBL17040298 0.78 APLNR (0.38) APLNRHSD11B1SLC1A2SLC1A1CYP2C19
SCHEMBL17049844 0.78 APLNR (0.38) APLNRHSD11B1SLC1A2SLC1A1CYP2C19
SCHEMBL17049843 0.78 APLNR (0.38) APLNRHSD11B1SLC1A2SLC1A1CYP2C19
SCHEMBL20818779 0.77 SLC1A2 (0.39) APLNRHSD11B1SLC1A2SLC1A1CYP2C19
SCHEMBL20818852 0.77 SLC1A2 (0.39) APLNRHSD11B1SLC1A2SLC1A1CYP2C19
SCHEMBL20818782 0.77 SLC1A2 (0.39) APLNRHSD11B1SLC1A2SLC1A1CYP2C19
SCHEMBL12166868 0.74
SCHEMBL17049675 0.74 HSD11B1 (0.37) APLNRHSD11B1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP claimed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO claimed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO claimed
EP-2988749-A1 THIAZOLE-SUBSTITUTED AMINOPYRIMIDINES AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-02 EP disclosed
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 US disclosed
WO-2014176216-A1 THIAZOLE-SUBSTITUTED AMINOPYRIMIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 US disclosed
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 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
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO 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 (4 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 APLNR 3244/4885HSD11B1 2589/4885SLC1A2 3388/4885
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK APLNR 3904/4885HSD11B1 2470/4885SLC1A2 4161/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK APLNR 3244/4885HSD11B1 2589/4885SLC1A2 3388/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK APLNR 3244/4885HSD11B1 2589/4885SLC1A2 3388/4885

“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.