SCHEMBL1419745

SCHEMBL1419745

CCOC(=O)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ ALDH1A3 P47895 3/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ THRB P10828 1/20 0.44
▸ BRAF P15056 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ CTSS P25774 1/20 0.41

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
SCHEMBL2315115 0.89 ALDH1A3 (0.55) KDM4ENPC1RAB9ADHODHALDH1A3
SCHEMBL1420203 0.87 DHODH (0.60) KDM4ENPC1RAB9ADHODHALDH1A3
SCHEMBL1419900 0.87 KDM4E (0.50) KDM4ENPC1RAB9ADHODHHSD17B10
SCHEMBL2315706 0.83 DHODH (0.66) KDM4ENPC1RAB9ADHODHALDH1A3
Bromide SCHEMBL9086996 0.82 DHODH (0.64) KDM4ENPC1RAB9ADHODHALDH1A3
SCHEMBL18003556 0.81 DHODH (0.52) KDM4ENPC1RAB9ADHODHALDH1A3
SCHEMBL12753187 0.80 DHODH (0.49) KDM4ENPC1RAB9ADHODHALDH1A3
SCHEMBL12753178 0.78 PDE4B (0.45) KDM4ENPC1RAB9ADHODHHSD17B10
SCHEMBL1419822 0.77 DHODH (0.52) KDM4ENPC1RAB9ADHODHALDH1A3
SCHEMBL1481142 0.76 HPGD (0.46) KDM4ENPC1RAB9ADHODHHSD17B10

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 KDM4E 1754/4885NPC1 4009/4885RAB9A 825/4885

“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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