SCHEMBL4078604

SCHEMBL4078604

CCOC(=O)c1cnn(-c2cccc(F)c2)c1NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
HTT P42858 3/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 2/20 0.57
NPSR1 Q6W5P4 2/20 0.54
PAX8 Q06710 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL25342498 0.83 ALDH1A1 (0.49) ALDH1A1HTTRAB9AKDM4ENPSR1
SCHEMBL15779107 0.82 HTT (0.57) ALDH1A1HTTRAB9AKDM4EPAX8
SCHEMBL31117228 0.82 HTT (0.77) ALDH1A1HTTRAB9ASMN1; SMN2HPGD
SCHEMBL4077162 0.82 HTT (0.77) ALDH1A1HTTRAB9ASMN1; SMN2HPGD
SCHEMBL2557898 0.81 HTT (0.56) ALDH1A1HTTRAB9AKDM4EPAX8
SCHEMBL13851240 0.80 HTT (0.53) ALDH1A1HTTRAB9AKDM4EPAX8
SCHEMBL10340606 0.80 HTT (0.55) ALDH1A1HTTRAB9AKDM4EPAX8
SCHEMBL4078539 0.80 HTT (0.52) ALDH1A1HTTRAB9AKDM4EPAX8
SCHEMBL5332408 0.77 ALDH1A1 (0.85) ALDH1A1HTTRAB9AKDM4ENPSR1
SCHEMBL5481730 0.77 ALDH1A1 (0.65) ALDH1A1HTTRAB9AKDM4ENPSR1

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 5 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-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 ALDH1A1 703/4885HTT 4738/4885RAB9A 1594/4885

“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.