SCHEMBL456882

SCHEMBL456882

CS(=O)(=O)c1cccc2cc(C=O)c(-c3cccnc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ERN1 O75460 5/20 0.40
PTGS2 P35354 7/20 0.40
PTGS1 P23219 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
NTRK1 P04629 1/20 0.37
TTK P33981 1/20 0.37
CYP2A6 P11509 1/20 0.36

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
SCHEMBL16712456 0.86 CYP2C9 (0.42) CYP2C9LMNAPOLBERN1PTGS2
SCHEMBL457853 0.83 CYP2A6 (0.47) LMNAERN1SMN1; SMN2TTKCYP2A6
SCHEMBL15363784 0.81 CYP2C9 (0.39) CYP2C9LMNAPOLBPTGS2PTGS1
SCHEMBL458722 0.81 ERN1 (0.45) CYP2C9ERN1SMN1; SMN2TTKCYP2A6
SCHEMBL16712516 0.81 ERN1 (0.42) CYP2C9LMNAERN1SMN1; SMN2TTK
SCHEMBL456610 0.80 ERN1 (0.53) ERN1PTGS2PTGS1SMN1; SMN2TTK
SCHEMBL456274 0.79 FABP1 (0.41) CYP2C9PTGS2PTGS1
SCHEMBL16712457 0.77 CYP2C9 (0.42) CYP2C9LMNAPOLBPTGS2PTGS1
SCHEMBL15363612 0.76 CYP2C9 (0.43) CYP2C9LMNAPOLBPTGS2PTGS1
SCHEMBL458823 0.75 NPC1 (0.48) CYP2C9LMNAPOLBSMN1; SMN2

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 CYP2C9 2715/4885LMNA 1912/4885POLB 1667/4885

“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.