SCHEMBL1885178

SCHEMBL1885178

Cc1cccc2cc(C=O)c(-c3ccccc3OC(F)(F)F)nc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
S1PR1 P21453 4/20 0.42
SCN9A Q15858 6/20 0.41
PIK3CD O00329 6/20 0.40
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL4173460 0.87 POLB (0.39) SCN9APOLBNPSR1CYP2C9
SCHEMBL4178014 0.85 PIK3CD (0.50) ATMPIK3CD
SCHEMBL4181249 0.82 ATM (0.56) ATMPIK3CD
SCHEMBL1596806 0.82 ATM (0.48) ATMPIK3CDHSD11B1
SCHEMBL1597913 0.80 ATM (0.51) ATMPIK3CDPOLB
SCHEMBL1891693 0.79 PIK3CD (0.47) ATMS1PR1SCN9APIK3CD
SCHEMBL1883149 0.79 PIK3CD (0.47) ATMS1PR1SCN9APIK3CD
SCHEMBL4180752 0.79 PIK3CD (0.53) ATMPIK3CDPOLB
SCHEMBL4182705 0.78 ATM (0.55) ATMPIK3CD
SCHEMBL12728069 0.77 ATM (0.48) ATMPIK3CD

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 ATM 545/4885S1PR1 2707/4885SCN9A 1908/4885

“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.