SCHEMBL458437

SCHEMBL458437

CCOC(=O)c1cc2cccc(Cl)c2nc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CDC7 O00311 3/20 0.48
DBF4 Q9UBU7 3/20 0.48
DCTPP1 Q9H773 1/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 6/20 0.43
CCR6 P51684 1/20 0.43
ACHE P22303 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL458823 0.84 NPC1 (0.48) NPC1RAB9ACDC7DBF4DCTPP1
SCHEMBL7636152 0.78 RAB9A (0.51) NPC1RAB9ACDC7DBF4DCTPP1
SCHEMBL455643 0.74 CYP11B1 (0.43) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL38658131 0.74 RAB9A (0.60) NPC1RAB9ACDC7DBF4DCTPP1
SCHEMBL29076989 0.74 KDM4E (0.50) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL7911271 0.73 KDM4E (0.57) NPC1RAB9ACDC7DBF4DCTPP1
SCHEMBL4276300 0.73 ALDH1A1 (0.56) NPC1RAB9ACDC7DBF4DCTPP1
SCHEMBL458722 0.73 ERN1 (0.45) NPC1RAB9ASMN1; SMN2KDM4ECYP3A4
SCHEMBL11392226 0.72 RAB9A (0.53) NPC1RAB9ACDC7DBF4DCTPP1
SCHEMBL1862003 0.71 ALDH1A1 (0.62) NPC1RAB9ACDC7DBF4DCTPP1

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 NPC1 4323/4885RAB9A 925/4885CDC7 406/4885

“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.