SCHEMBL455451

SCHEMBL455451

Cc1ncccc1-c1nc2c(C(F)(F)F)cccc2cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
NFE2L2 Q16236 4/20 0.36
PTGS2 P35354 2/20 0.35
MPL P40238 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
ERN1 O75460 2/20 0.34
NR1H2 P55055 1/20 0.34
FABP1 P07148 1/20 0.34
PIK3CD O00329 1/20 0.34
P2RX7 Q99572 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL4178020 0.84 CCR1 (0.39) PDE2APDE10ASLC40A1CCR1CCR8
SCHEMBL456274 0.81 FABP1 (0.41) SLC40A1CCR1CCR8PTGS2FABP1
SCHEMBL1596806 0.81 ATM (0.48) TRPV1ERN1PIK3CDHSD11B1
SCHEMBL457062 0.81 TGFBR1 (0.38) PDE2APDE10ASLC40A1CCR1CCR8
SCHEMBL16712521 0.80 DHODH (0.46) SCN5ASCN9ATRPV1
SCHEMBL15363591 0.80 SCN5A (0.34) SCN5ASCN9APDE2APDE10ASLC40A1
SCHEMBL16712478 0.78 PDE2A (0.37) PDE2APDE10ASLC40A1CCR1CCR8
SCHEMBL456610 0.77 ERN1 (0.53) SCN5ASCN9APTGS2ERN1
SCHEMBL15363610 0.77 SCN5A (0.38) SCN5ASCN9APDE2APDE10ASLC40A1
SCHEMBL1598310 0.77 HSD11B1 (0.41) SCN9ATRPV1ERN1PIK3CDHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCN5A 1524/4885SCN9A 1677/4885PDE2A 1027/4885

“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.