SCHEMBL17759201

SCHEMBL17759201

COc1ccc2ncc([SH](=O)=O)n2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PKM P14618 1/20 0.37
FYN P06241 2/20 0.37
CLK1 P49759 6/20 0.36
RIPK2 O43353 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TGFBR1 P36897 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
SCHEMBL17759085 0.79 ELANE (0.41) CLK1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17754847 0.76 IRAK4 (0.42) IRAK4PRMT5WDR77FYNCLK1
SCHEMBL17759101 0.75 MAP3K14 (0.43) CLK1DYRK1A
SCHEMBL19962292 0.75 IRAK4 (0.41) IRAK4PRMT5WDR77FYNCLK1
SCHEMBL9941690 0.73 CLK1 (0.48) CLK1DYRK1ATGFBR1
SCHEMBL23108642 0.72 MET (0.42) IRAK4PRMT5WDR77PKMFYN
SCHEMBL23133611 0.72 IRAK4 (0.40) IRAK4PRMT5WDR77FYNCLK1
SCHEMBL17697727 0.72 RIPK2 (0.38) IRAK4PRMT5WDR77PKMFYN
SCHEMBL22045717 0.71 EIF2AK4 (0.39) SMN1; SMN2KDM4EDYRK1AALDH1A1
Bromide SCHEMBL31538783 0.71 IRAK4 (0.39) IRAK4PRMT5WDR77FYNCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3012259-B1 FIVE-MEMBERED HETEROCYCLIC PYRIDINE COMPOUNDS AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-06-03 EP disclosed
US-9988381-B2 Five-member-heterocycle fused pyridine compounds, method of producing the same, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-06-05 US disclosed
US-20160137640-A1 FIVE-MEMBER-HETEROCYCLE FUSED PYRIDINE COMPOUNDS, METHOD OF PRODUCING THE SAME, AND USE THEREOF SHANGHAI HAIHE PHARMACEUTICAL CO. LTD. (CN) 2016-05-19 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-20160137640-A1 FIVE-MEMBER-HETEROCYCLE FUSED PYRIDINE COMPOUNDS, METHOD OF PRODUCING THE SAME, AND USE THEREOF ABL1, JAK2, LCK IRAK4 288/4885PRMT5 644/4885WDR77 2685/4885

“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.