SCHEMBL4084516

SCHEMBL4084516

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.50
MAPK13 O15264 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
MAPT P10636 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGDS O60760 1/20 0.39
DAPK3 O43293 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 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) MAPK14RXFP1MAPTCYP17A1CYP1A2
SCHEMBL4134853 0.85 MAPK14 (0.52) MAPK14MAPK13NPC1CYP17A1CYP1A2
SCHEMBL4092033 0.82 MAPK14 (0.55) MAPK14MAPK13CYP2D6CYP2C9CYP2C19
SCHEMBL25343704 0.80 MAPK14 (0.56) MAPK14MAPK13CYP17A1CYP1A2CYP2D6
SCHEMBL4672794 0.72 RAB9A (0.69) MAPK14NPC1RAB9APAX8MAPT
SCHEMBL6278822 0.69 RXFP1 (0.45) MAPK14RXFP1NPC1RAB9AMAPT
SCHEMBL10439328 0.67 MAPK14 (0.45) MAPK14MAPTCYP17A1CYP1A2HPGDS
SCHEMBL2786428 0.66 RXFP1 (0.49) RXFP1NPC1RAB9AMAPTCYP17A1
SCHEMBL6225759 0.66 SLC2A1 (0.58) RXFP1NPC1RAB9AMAPTCYP17A1
SCHEMBL15332373 0.65 MAPK14 (0.43) MAPK14RXFP1NPC1RAB9APAX8

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 7 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

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 52/4885MAPK13 57/4885RXFP1 688/4885

“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.