SCHEMBL1420197

SCHEMBL1420197

O=C(O)c1cccn2nc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.65
PARP1 P09874 1/20 0.55
KMO O15229 2/20 0.47
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
XDH P47989 1/20 0.43
PIN1 Q13526 1/20 0.43
CFTR P13569 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL1419908 0.84 CSNK1D (0.50) DHODHPARP1KMT2AALDH1A1MEN1
SCHEMBL10211954 0.79 DHODH (1.00) DHODHPARP1ALDH1A1KDM4ECYP1A2
SCHEMBL1419736 0.77 DHODH (0.64) DHODHKMOKMT2AALDH1A1MEN1
SCHEMBL3175273 0.76 KDM4E (0.55) DHODHKMOKMT2AALDH1A1MEN1
SCHEMBL1419832 0.75 DHODH (0.63) DHODHPARP1CSNK1D
SCHEMBL6497476 0.73 ALDH1A1 (0.44) KMT2AALDH1A1KDM4ELMNACYP1A2
SCHEMBL1398852 0.72 RORB (0.68) KMOKMT2AALDH1A1MEN1GAA
SCHEMBL1690998 0.71 JAK2 (0.63) CFTR
SCHEMBL8842832 0.71 KMO (0.53) KMOKMT2AALDH1A1MEN1KDM4E
SCHEMBL10916325 0.71 ALDH1A1 (0.62) DHODHKMOKMT2AALDH1A1MEN1

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 DHODH 1141/4885PARP1 223/4885KMO 785/4885

“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.