SCHEMBL16909561

SCHEMBL16909561

COc1ccc(-c2ccc(/N=C(\C)N(C)C)nc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP2A6 P11509 2/20 0.44
ERN1 O75460 3/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
OXTR P30559 1/20 0.39
RPS6KA3 P51812 1/20 0.39
KCNH2 Q12809 1/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
TDO2 P48775 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL16909563 1.00 MKNK1 (0.46) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL15415257 0.86 MKNK1 (0.42) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL15415254 0.86 MKNK1 (0.42) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL3754419 0.75 CYP2A6 (0.68) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL31174412 0.75 CYP2A6 (0.68) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL31600623 0.71 ADRA2A (0.58)
SCHEMBL619590 0.71 ADRA2A (0.58)
SCHEMBL17221501 0.71 ADRA2A (0.58)
SCHEMBL17221502 0.71 ADRA2A (0.58)
SCHEMBL619591 0.71 ADRA2A (0.58)

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-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP disclosed
US-9309243-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2016-04-12 US disclosed
US-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity UCB Biopharma SPRL a corporation 2015-07-23 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-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, IL1A MKNK1 1070/4885MKNK2 1627/4885HSD17B1 3733/4885

“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.