SCHEMBL457592

SCHEMBL457592

Cc1cncc(-c2nc3c(C)c(F)ccc3cc2C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.38
CYP11B2 P19099 6/20 0.38
ERN1 O75460 3/20 0.35
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 3/20 0.32
TDO2 P48775 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
EPRS1 P07814 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL459607 0.84 ERN1 (0.50) CYP11B1CYP11B2ERN1CYP2A6
SCHEMBL15363645 0.79 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL15363795 0.74 CYP11B1 (0.36) CYP11B1CYP11B2PTGS2
SCHEMBL5666 0.73 ALDH1A1 (0.53) ALDH1A1KDM4EGAA
SCHEMBL457062 0.72 TGFBR1 (0.38) ERN1PTGS2CCR1CCR5CCR8
SCHEMBL15363839 0.72 CYP11B2 (0.39) CYP11B1CYP11B2ERN1EPRS1
SCHEMBL16712451 0.68 CYP11B1 (0.34) CYP11B1CYP11B2PTGS2CYP2A6KDM4E
SCHEMBL15363840 0.66 ERN1 (0.33) CYP11B1CYP11B2ERN1CYP2A6
SCHEMBL457853 0.64 CYP2A6 (0.47) ERN1CYP2A6KDM4E
SCHEMBL456610 0.62 ERN1 (0.53) CYP11B1CYP11B2ERN1PTGS2GAA

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 CYP11B1 3708/4885CYP11B2 3986/4885ERN1 713/4885

“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.