SCHEMBL457062

SCHEMBL457062

Cc1ncccc1-c1nc2c(C)c(F)ccc2cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.38
ERN1 O75460 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE10A Q9Y233 4/20 0.35
CCR1 P32246 2/20 0.35
CCR8 P51685 2/20 0.35
CCR5 P51681 1/20 0.35
PDE2A O00408 3/20 0.34
SLC40A1 Q9NP59 1/20 0.34
DHODH Q02127 3/20 0.33
MAPK14 Q16539 1/20 0.33

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 0.81 CCR1 (0.39) PTGS1PTGS2PDE10ACCR1CCR8
SCHEMBL455451 0.81 SCN5A (0.41) ERN1PTGS2PDE10ACCR1CCR8
SCHEMBL459607 0.79 ERN1 (0.50) ERN1DHODH
SCHEMBL15363626 0.78 TGFBR1 (0.32) TGFBR1PTGS1PTGS2PDE10APDE2A
SCHEMBL456274 0.78 FABP1 (0.41) PTGS1PTGS2CCR1CCR8SLC40A1
SCHEMBL15363615 0.74 TGFBR1 (0.37) TGFBR1PDE10ADHODH
SCHEMBL5666 0.73 ALDH1A1 (0.53)
SCHEMBL457592 0.72 CYP11B1 (0.38) ERN1PTGS2CCR1CCR8CCR5
SCHEMBL21705926 0.70 KMT2A (0.39) ERN1
SCHEMBL1597913 0.70 ATM (0.51) ERN1

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 5 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
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 TGFBR1 4717/4885ERN1 713/4885PTGS1 997/4885

“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.