SCHEMBL456449

SCHEMBL456449

O=Cc1cc2ccccc2nc1-c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.51
ERN1 O75460 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
RAD51 Q06609 1/20 0.46
LCK P06239 1/20 0.45
CYP11B1 P15538 3/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP17A1 P05093 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
TTK P33981 1/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2E1 P05181 2/20 0.41

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
SCHEMBL1315514 0.84 PDE10A (0.56) SMN1; SMN2ALDH1A1GAAKDM4ENPC1
SCHEMBL458722 0.79 ERN1 (0.45) CYP2A6ERN1SMN1; SMN2CYP11B1CYP19A1
SCHEMBL457853 0.78 CYP2A6 (0.47) CYP2A6ERN1SMN1; SMN2TTKKDM4E
SCHEMBL29796545 0.77 CYP2A6 (0.55) CYP2A6SMN1; SMN2RAD51LCKCYP11B1
SCHEMBL17942777 0.77 CYP2A6 (0.55) CYP2A6SMN1; SMN2RAD51LCKCYP11B1
SCHEMBL3722967 0.77 PDE10A (0.70) CYP2A6SMN1; SMN2RAD51LCKCYP11B1
SCHEMBL2598835 0.77 CYP2A6 (0.51) CYP2A6RAD51LCKCYP11B1CYP19A1
SCHEMBL29636229 0.77 PDE10A (0.47) SMN1; SMN2ALDH1A1GAAKDM4ENPC1
SCHEMBL28736545 0.77 PDE10A (0.47) SMN1; SMN2ALDH1A1GAAKDM4ENPC1
SCHEMBL16712516 0.76 ERN1 (0.42) CYP2A6ERN1SMN1; SMN2CYP11B1CYP19A1

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

“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.