SCHEMBL456610

SCHEMBL456610

O=Cc1cc2cccc(C(F)(F)F)c2nc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.53
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
TP53 P04637 1/20 0.39
CFTR P13569 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TTK P33981 1/20 0.38
NPY5R Q15761 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
SCHEMBL457853 0.84 CYP2A6 (0.47) ERN1L3MBTL1SMN1; SMN2TTKNPY5R
SCHEMBL458722 0.82 ERN1 (0.45) ERN1CYP11B1CYP11B2L3MBTL1SMN1; SMN2
SCHEMBL16712516 0.81 ERN1 (0.42) ERN1CYP11B1CYP11B2L3MBTL1SMN1; SMN2
SCHEMBL456882 0.80 CYP2C9 (0.43) ERN1SMN1; SMN2PTGS1PTGS2TTK
SCHEMBL15363989 0.80 ERN1 (0.36) ERN1CYP11B1CYP11B2L3MBTL1GAA
SCHEMBL459607 0.78 ERN1 (0.50) ERN1CYP11B1CYP11B2SMN1; SMN2TTK
SCHEMBL455451 0.77 SCN5A (0.41) ERN1SCN5ASCN9APTGS2
SCHEMBL15363822 0.76 SMN1; SMN2 (0.37) ERN1CYP11B1CYP11B2L3MBTL1SMN1; SMN2
SCHEMBL456449 0.75 CYP2A6 (0.51) ERN1CYP11B1CYP11B2GAASMN1; SMN2
SCHEMBL16712456 0.74 CYP2C9 (0.42) ERN1L3MBTL1SMN1; SMN2PTGS1PTGS2

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
CN-103153996-B As quinoline and the quinoxaline derivatives of kinase inhibitor UCB PHARMA S.A. (BE) 2016-01-27 CN disclosed
EP-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed
US-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
CN-103153996-A Quinoline and quinoxaline derivatives as kinase inhibitors UCB PHARMA SA 2013-06-12 CN disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2012-03-15 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-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 ERN1 713/4885CYP11B1 3708/4885CYP11B2 3986/4885

“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.