SCHEMBL16840458

SCHEMBL16840458

CNc1nc(C)c2occc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
SYK P43405 5/20 0.34
DAPK3 O43293 2/20 0.33
JAK2 O60674 2/20 0.33
PAK4 O96013 2/20 0.33
ABL1 P00519 2/20 0.33
LCK P06239 2/20 0.33
FYN P06241 2/20 0.33
RET P07949 2/20 0.33
LTK P29376 2/20 0.33
GRK5 P34947 2/20 0.33
MAPK8 P45983 2/20 0.33
CSNK1A1 P48729 2/20 0.33
TYRO3 Q06418 2/20 0.33
TNK2 Q07912 2/20 0.33
MAP4K2 Q12851 2/20 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
SCHEMBL18211807 0.81 APP (0.38) ADORA2AADORA1BCHEACHESYK
SCHEMBL14213484 0.76 CYP2A6 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL22161609 0.73 CYP2A6 (0.31)
SCHEMBL7607941 0.73 KDM4E (0.35)
SCHEMBL14213485 0.73 HSD17B10 (0.50) NUDT1ADORA2ACYP1A2HSD17B10
SCHEMBL21341741 0.70 ALDH1A1 (0.31) ADORA2AADORA1USP2
SCHEMBL18211812 0.70 AURKA (0.32) ADORA2AADORA1KMT2AADORA3
SCHEMBL18924353 0.70 PDE4A (0.39) ADORA2AADORA1HSD17B10USP2PDE4A
SCHEMBL3713429 0.66 XDH (0.37) ADORA2AIRAK4APPTDP1CYP1A2
SCHEMBL13169635 0.65 GPR3 (0.55) NUDT1CYP1A2HSD17B10ELANEPDE4A

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 4 patents. 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
US-9670196-B2 Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-06 US disclosed
US-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 US disclosed
WO-2015095444-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 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 (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-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, TYRO3 NUDT1 3960/4885ADORA2A 2011/4885ADORA1 828/4885

“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.