SCHEMBL1880588

SCHEMBL1880588

CCC(O)c1cc2cccc(C)c2nc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
GAA P10253 2/20 0.42
RECQL P46063 1/20 0.39
TACR3 P29371 1/20 0.39
PIK3CD O00329 3/20 0.38
PDE10A Q9Y233 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 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
SCHEMBL1883714 0.85 ATM (0.48) ATMGAARECQLPIK3CDPDE10A
SCHEMBL1878845 0.85 ATM (0.48) ATMGAARECQLPIK3CDPDE10A
SCHEMBL1881760 0.84 ATM (0.45) ATMGAATACR3PIK3CDPDE10A
SCHEMBL21705927 0.82 PIK3CD (0.58) ATMGAAPIK3CDALDH1A1TSHR
SCHEMBL1881106 0.79 ATM (0.48) ATMGAAPIK3CDPDE10AL3MBTL1
SCHEMBL28539195 0.76 PDE10A (0.62) ATMGAAPIK3CDPDE10AL3MBTL1
SCHEMBL1887862 0.74 MEN1 (0.48) ATMGAAPIK3CDPDE10AL3MBTL1
SCHEMBL7211975 0.73 PDE10A (0.48) ATMGAAPDE10AKDM4EALDH1A1
SCHEMBL7211972 0.73 PDE10A (0.48) ATMGAAPDE10AKDM4EALDH1A1
SCHEMBL1883325 0.73 ATM (0.42) ATMGAAPIK3CDPDE10ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 US disclosed
EP-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE ATM 545/4885GAA 1142/4885RECQL 101/4885

“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.