SCHEMBL12753167

SCHEMBL12753167

O=C(Nc1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12)c1cnccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ BRAF P15056 1/20 0.50
▸ EPHB4 P54760 12/20 0.47
▸ ALOX15 P16050 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ PRKCB P05771 1/20 0.46
▸ INSR P06213 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FGFR4 P22455 1/20 0.46
▸ EPHA2 P29317 1/20 0.46
▸ AKT1 P31749 1/20 0.46

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
SCHEMBL1419746 0.87 SMN1; SMN2 (0.62) SMN1; SMN2ALOX15TSHRALDH1A1MCL1
SCHEMBL12753145 0.86 SMN1; SMN2 (0.54) SMN1; SMN2ALOX15TSHRALDH1A1ABL1
SCHEMBL12753195 0.86 MEN1 (0.55) BRAFEPHB4TSHRALDH1A1
SCHEMBL1420003 0.85 KMO (0.49) SMN1; SMN2EPHB4ALDH1A1ABL1EGFR
SCHEMBL12753133 0.85 ALDH1A1 (0.60) SMN1; SMN2ALOX15TSHRALDH1A1MCL1
SCHEMBL12753188 0.85 CYP2C9 (0.45) EPHB4ALDH1A1ABL1EGFRPRKCB
SCHEMBL12753193 0.85 EPHB4 (0.54) BRAFEPHB4ALDH1A1ABL1EGFR
SCHEMBL12753191 0.83 ALOX15 (0.55) SMN1; SMN2EPHB4ALOX15TSHRABL1
SCHEMBL1035032 0.80 BRAF (0.52) SMN1; SMN2BRAFALOX15TSHRALDH1A1
SCHEMBL4547971 0.75 BRAF (0.51) SMN1; SMN2BRAFALOX15TSHRALDH1A1

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
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
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 SMN1; SMN2 1970/4885BRAF 2607/4885EPHB4 4845/4885

“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.

Send feedback