SCHEMBL1886928

SCHEMBL1886928

Cc1cccc2cc(CNC(=O)OC(C)(C)C)c(Cl)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4A O75164 1/20 0.46
FAAH O00519 1/20 0.46
PRNP P04156 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NQO2 P16083 1/20 0.46
PIK3CD O00329 6/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL713671 0.85 DRD4 (0.66) DRD4DRD3L3MBTL1FAAHPRNP
SCHEMBL1883185 0.79 ACACB (0.44) KDM4APRNPRXFP1NQO2PIK3CD
SCHEMBL713467 0.77 TSHR (0.43) POLBMAPK1ATMKDM4ELMNA
SCHEMBL863903 0.77 TSHR (0.43) POLBMAPK1ATMKDM4ELMNA
SCHEMBL30344301 0.75 KCNA5 (0.47) L3MBTL1KDM4ANQO2ALDH1A1POLB
SCHEMBL3124959 0.75 ALDH1A1 (0.55) L3MBTL1KDM4AALDH1A1POLBKCNA5
SCHEMBL15471345 0.74 DRD4 (0.61) DRD4DRD3L3MBTL1FAAHPRNP
SCHEMBL6921464 0.74 IDO1 (0.50) KDM4AALDH1A1NPSR1IDO1KCNA5
SCHEMBL717333 0.73 DRD4 (0.59) DRD4DRD3L3MBTL1FAAHPIK3CD
SCHEMBL23997640 0.73 IDO1 (0.52) KDM4AALDH1A1NPSR1IDO1KDM4E

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-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

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 DRD4 3720/4885DRD3 2440/4885L3MBTL1 3240/4885

“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.