SCHEMBL4144099

SCHEMBL4144099

Cn1c(=O)cc(Nc2ccc(F)cc2F)c2cn[nH]c21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.46
MAPK14 Q16539 10/20 0.43
MAP2K1 Q02750 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PAK1 Q13153 1/20 0.38
BRD4 O60885 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2671341 0.64 MAPK14 (0.59) AKT1MAPK14NPC1ALDH1A1
SCHEMBL31574295 0.64 MAPK14 (0.46) MAPK14BRD4
SCHEMBL21807461 0.64 MAPK14 (0.46) MAPK14BRD4
SCHEMBL5622730 0.63 MAP2K1 (0.77) MAP2K1ALDH1A1
SCHEMBL4077227 0.63 MAPK14 (0.61) MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL29376708 0.61 MAPK14 (0.47) AKT1MAPK14CYP2D6CYP2C19NPC1
SCHEMBL4144102 0.59 MAPK14 (0.39) MAPK14NPC1TSHRHSD17B10
SCHEMBL3805106 0.59 MAP2K1 (0.47) MAPK14MAP2K1BRD4ALDH1A1TSHR
SCHEMBL17110585 0.59 APP (0.55) MAPK14CYP2D6CYP2C19NPC1ALDH1A1
SCHEMBL4430296 0.58 PDE3B (0.39) CYP2C19ALDH1A1HSD17B10

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 AKT1 350/4885MAPK14 52/4885MAP2K1 331/4885

“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.