SCHEMBL457679

SCHEMBL457679

O=Cc1cc2cccc(Cl)c2nc1-c1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
CYP2A6 P11509 1/20 0.36
NPC1 O15118 4/20 0.35
PIK3CD O00329 3/20 0.34
DYRK3 O43781 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
CDK5R1 Q15078 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NFE2L2 Q16236 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL457871 0.81 DHODH (0.44) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL458722 0.81 ERN1 (0.45) ERN1CYP2A6NPC1RAB9AKDM4E
SCHEMBL15363631 0.78
SCHEMBL4182889 0.76 ALDH1A1 (0.42) ERN1PIK3CDALDH1A1KDM4EMEN1
SCHEMBL458891 0.75 PIK3CD (0.37) NPC1PIK3CDRAB9AMAPTSMN1; SMN2
SCHEMBL29683769 0.75 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL5116 0.75 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL15363672 0.73 PIK3CD (0.38) CYP2A6PIK3CDALDH1A1KDM4ESMN1; SMN2
SCHEMBL15363900 0.72 PARP1 (0.38) KMT2A
SCHEMBL4167601 0.71 ELANE (0.39) ERN1NPC1PIK3CDRAB9AALDH1A1

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 713/4885CYP2A6 2551/4885NPC1 4323/4885

“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.