SCHEMBL12753191

SCHEMBL12753191

O=C(Nc1cnccn1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ EPHB4 P54760 14/20 0.47
▸ ABL1 P00519 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ PRKCB P05771 1/20 0.45
▸ INSR P06213 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ PRKCA P17252 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ FGFR4 P22455 1/20 0.45
▸ EPHA2 P29317 1/20 0.45
▸ AKT1 P31749 1/20 0.45

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
SCHEMBL13579055 0.89 EPHB4 (0.47) EPHB4ABL1EGFRPRKCBINSR
SCHEMBL12753166 0.85 DHODH (0.58) TSHRNPSR1HSD17B10GSK3BSMN1; SMN2
SCHEMBL1419742 0.83 RXFP1 (0.53) HSD17B10EPHB4SMN1; SMN2DHODH
SCHEMBL12753167 0.83 SMN1; SMN2 (0.56) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL12752999 0.82 SCN9A (0.45) NPSR1EPHB4ABL1EGFRPRKCB
SCHEMBL1419736 0.80 DHODH (0.64) HSD17B10EPHB4ABL1EGFRPRKCB
SCHEMBL1034603 0.79 ALOX15 (0.59) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL12753285 0.78 DHODH (0.51) DHODHGSK3A
SCHEMBL1419740 0.78 DHODH (0.52) HSD17B10EPHB4ABL1EGFRPRKCB
SCHEMBL12753195 0.78 MEN1 (0.55) TSHREPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — 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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALOX15 3649/4885TSHR 1898/4885CASP1 340/4885

“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.

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