SCHEMBL4137583

SCHEMBL4137583

Cn1c(=O)cc(Nc2ccccc2C(N)=O)c2cnn(-c3c(F)cccc3F)c21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.60
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
MAPK13 O15264 1/20 0.42
STAT3 P40763 1/20 0.41
JAK3 P52333 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 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
SCHEMBL4123815 0.86 MAPK14 (0.72) MAPK14CYP2D6CYP2C9CYP2C19JAK2
SCHEMBL4131360 0.86 MAPK14 (0.72) MAPK14CYP2D6CYP2C9CYP2C19JAK2
SCHEMBL4077227 0.79 MAPK14 (0.61) MAPK14CYP2D6CYP2C9CYP2C19MAPK13
SCHEMBL3978687 0.73 MAPK14 (1.00) MAPK14CYP2D6CYP2C9CYP2C19MAPK13
SCHEMBL4092033 0.73 MAPK14 (0.55) MAPK14CYP2D6CYP2C9CYP2C19MAPK13
SCHEMBL14426312 0.68 MAP2K1 (0.75) MAP2K2MAP2K1
SCHEMBL3671303 0.65 MAPK14 (0.70) MAPK14MAPK13
SCHEMBL10424663 0.64 SIRT2 (0.62)
SCHEMBL31401745 0.62 MAP2K2 (0.66) JAK2JAK1TYK2STAT3JAK3
SCHEMBL25338778 0.61 MAPK14 (0.40) MAPK14TYK2MAPK13

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-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

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 52/4885CYP2D6 422/4885CYP2C9 646/4885

“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.