SCHEMBL459607

SCHEMBL459607

Cc1c(F)ccc2cc(C=O)c(-c3cccnc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.38
CYP2A6 P11509 4/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
TTK P33981 1/20 0.38
DHODH Q02127 1/20 0.37
NPY5R Q15761 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL457592 0.84 CYP11B1 (0.38) ERN1CYP2A6CYP11B1CYP11B2
SCHEMBL457853 0.81 CYP2A6 (0.47) ERN1SMN1; SMN2CYP2A6TTKNPY5R
SCHEMBL457062 0.79 TGFBR1 (0.38) ERN1DHODH
SCHEMBL15363840 0.79 ERN1 (0.33) ERN1CYP2A6CYP11B1CYP11B2DHODH
SCHEMBL456610 0.78 ERN1 (0.53) ERN1SMN1; SMN2CYP11B1CYP11B2TTK
SCHEMBL458722 0.77 ERN1 (0.45) ERN1SMN1; SMN2CYP2A6CYP11B1CYP11B2
SCHEMBL16712516 0.77 ERN1 (0.42) ERN1SMN1; SMN2CYP2A6CYP11B1CYP11B2
SCHEMBL456882 0.75 CYP2C9 (0.43) ERN1SMN1; SMN2CYP2A6TTKCYP2C9
SCHEMBL15363642 0.74 CYP2A6 (0.35) SMN1; SMN2CYP2A6CYP11B1CYP11B2NPY5R
SCHEMBL456449 0.72 CYP2A6 (0.51) ERN1SMN1; SMN2CYP2A6CYP11B1CYP11B2

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 ERN1 713/4885SMN1; SMN2 3681/4885CYP2A6 2551/4885

“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.