SCHEMBL4134853

SCHEMBL4134853

Cn1c(=O)cc(O)c2cnn(-c3cccc(F)c3)c21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.52
CYP17A1 P05093 1/20 0.42
CYP1A2 P05177 1/20 0.42
DAPK3 O43293 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
MAPK13 O15264 1/20 0.39
TP53 P04637 1/20 0.39
HPGDS O60760 1/20 0.39
ESR1 P03372 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A3 P47895 1/20 0.38
ALDH1A2 O94788 1/20 0.38

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
SCHEMBL13884432 0.86 MAPK14 (0.55) MAPK14CYP17A1CYP1A2TP53
SCHEMBL4084516 0.85 MAPK14 (0.50) MAPK14CYP17A1CYP1A2DAPK3PIM1
SCHEMBL25344930 0.80 MAPK14 (0.57) MAPK14CYP17A1CYP1A2
SCHEMBL6274969 0.69 ESR1 (0.45) MAPK14CYP17A1CYP1A2ESR1NPC1
SCHEMBL10439328 0.67 MAPK14 (0.45) MAPK14CYP17A1CYP1A2DAPK3PIM1
SCHEMBL4092033 0.67 MAPK14 (0.55) MAPK14MAPK13
SCHEMBL6207703 0.66 SLC2A1 (0.58) CYP17A1CYP1A2TP53NPC1ALDH1A1
SCHEMBL22552282 0.65 NPC1 (0.67) MAPK14TP53NPC1ALDH1A1SMN1; SMN2
SCHEMBL29480967 0.65 NPC1 (0.67) MAPK14TP53NPC1ALDH1A1SMN1; SMN2
SCHEMBL25343704 0.65 MAPK14 (0.56) MAPK14CYP17A1CYP1A2MAPK13

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080546-B2 Pyrazolo-pyridinone derivatives and methods of use AMGEN INC. (US) 2011-12-20 US disclosed
US-8080546-B2 Pyrazolo-pyridinone derivatives and methods of use AMGEN INC. (US) 2011-12-20 US disclosed
US-8080546-B2 Pyrazolo-pyridinone derivatives and methods of use AMGEN INC. (US) 2011-12-20 US disclosed
US-20090137582-A1 Pyrazolo-pyridinone derivatives and methods of use AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137582-A1 Pyrazolo-pyridinone derivatives and methods of use AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137582-A1 Pyrazolo-pyridinone derivatives and methods of use AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009055033-A1 PYRAZOLO-PYRIDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055033-A1 PYRAZOLO-PYRIDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2009-04-30 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-20090137582-A1 Pyrazolo-pyridinone derivatives and methods of use IL1B, IL1R1, IL1A MAPK14 52/4885CYP17A1 1570/4885CYP1A2 165/4885

“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.