SCHEMBL12753188

SCHEMBL12753188

O=C(Nc1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12)c1cscn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 5/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 3/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ EPHB4 P54760 10/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FGFR4 P22455 1/20 0.42
▸ EPHA2 P29317 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ FLT4 P35916 1/20 0.42

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
SCHEMBL12753199 0.87 DHODH (0.46) POLBPIM1ALDH1A1
SCHEMBL12753138 0.86 IRAK4 (0.47) FYNPOLBPIM1
SCHEMBL12753124 0.85 DHODH (0.50) PIM1ALDH1A1
SCHEMBL12753167 0.85 SMN1; SMN2 (0.56) EPHB4ABL1EGFRPRKCBINSR
SCHEMBL1420003 0.84 KMO (0.49) EPHB4ABL1EGFRPRKCBINSR
SCHEMBL12753193 0.81 EPHB4 (0.54) EPHB4ABL1EGFRPRKCBINSR
SCHEMBL1035042 0.80 TLR7 (0.43) CYP2C9CYP3A4CYP2C8CYP2D6TLR7
SCHEMBL12753195 0.79 MEN1 (0.55) EPHB4POLBALDH1A1
SCHEMBL15707571 0.76 CYP2C9 (0.47) CYP2C9CYP3A4CYP2C8CYP2D6POLB
SCHEMBL4547970 0.75 TLR7 (0.42) CYP2C9CYP3A4CYP2C8CYP2D6TLR7

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 CYP2C9 2669/4885CYP3A4 1646/4885CYP2C8 2248/4885

“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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