SCHEMBL1420003

SCHEMBL1420003

O=C(Nc1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12)c1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.49
▸ EPHB4 P54760 15/20 0.47
▸ KDR P35968 2/20 0.47
▸ TEK Q02763 2/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ PRKCB P05771 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ PRKCA P17252 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ EPHA2 P29317 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ FLT3 P36888 1/20 0.47

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
SCHEMBL12753193 0.87 EPHB4 (0.54) EPHB4KDRTEKABL1EGFR
SCHEMBL12753167 0.85 SMN1; SMN2 (0.56) EPHB4KDRTEKABL1EGFR
SCHEMBL12753210 0.85 DHODH (0.50) KDM4EALDH1A1POLBMAPTRAB9A
SCHEMBL12753195 0.84 MEN1 (0.55) EPHB4ALDH1A1POLB
SCHEMBL12753188 0.84 CYP2C9 (0.45) EPHB4KDRTEKABL1EGFR
SCHEMBL13579055 0.81 EPHB4 (0.47) EPHB4KDRTEKABL1EGFR
SCHEMBL1419736 0.78 DHODH (0.64) KMOEPHB4KDRTEKABL1
SCHEMBL1419742 0.78 RXFP1 (0.53) EPHB4KDM4EALDH1A1POLBRAB9A
SCHEMBL12753191 0.77 ALOX15 (0.55) EPHB4KDRTEKABL1EGFR
SCHEMBL12752999 0.77 SCN9A (0.45) EPHB4KDRTEKABL1EGFR

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 6 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
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — US disclosed
EP-2297144-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-03-23 — — EP disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 — — WO disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 — — 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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 KMO 785/4885EPHB4 4845/4885KDR 1167/4885

“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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