SCHEMBL4897330

SCHEMBL4897330

N#Cc1ccc2nc(C=O)cn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
CSNK1D P48730 1/20 0.44
CSNK1G2 P78368 1/20 0.44
ALDH1A3 P47895 2/20 0.42
METTL3 Q86U44 1/20 0.37
AHR P35869 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FGFR4 P22455 4/20 0.33
USP30 Q70CQ3 1/20 0.33
GPR39 O43194 1/20 0.32
PDE3B Q13370 1/20 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
SCHEMBL871995 0.75 NPC1 (0.50) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL10053493 0.74 APP (0.54) APPCSNK1DCSNK1G2ALDH1A3METTL3
SCHEMBL18443123 0.74 APP (0.54) APPCSNK1DCSNK1G2ALDH1A3METTL3
SCHEMBL13469261 0.74 APP (0.50) APPCSNK1DCSNK1G2ALDH1A3METTL3
SCHEMBL869867 0.74 APP (0.43) APPALDH1A3METTL3AHRALDH1A1
SCHEMBL14046264 0.74 PIK3CG (0.38) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL4784975 0.74 RAB9A (0.51) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL11914801 0.74 PIK3CG (0.55) APPAHRALDH1A1NPC1RAB9A
SCHEMBL5773449 0.74 APP (0.43) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL1733873 0.72 PTGS1 (0.53) APPCSNK1DCSNK1G2ALDH1A3METTL3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171740-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 US disclosed
EP-1793825-A2 CHEMCIAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-13 EP disclosed
WO-2006036816-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-06 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-20080171740-A1 Chemical Compounds CXCR4, CCR5, CXCR3 APP 2338/4885CSNK1D 4277/4885CSNK1G2 4080/4885

“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.