SCHEMBL4777942

SCHEMBL4777942

[c]1ccc(NCc2ccccn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 2/20 0.46
CXCR4 P61073 1/20 0.46
FABP1 P07148 1/20 0.45
FABP6 P51161 1/20 0.45
PTPN11 Q06124 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4776298 0.84 CYP1A2 (0.69) NPC1RAB9ACYP1A2MAPTCYP2C19
SCHEMBL30487250 0.81 CXCR4 (0.68) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL229311 0.81 CXCR4 (0.68) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL7079919 0.78 MAOA (0.73) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL988776 0.78 FABP1 (0.58) KDM4ESMN1; SMN2TP53HPGDCYP1A2
SCHEMBL5472191 0.75 ALDH1A1 (0.38) KDM4ESMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL4777761 0.73 CXCR4 (0.44) KDM4EHPGDHSD17B10CYP1A2CXCR4
SCHEMBL1244338 0.73 MAOA (0.70) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL4770287 0.72 POLB (0.54) KDM4ESMN1; SMN2TP53HPGDHSD17B10
SCHEMBL29846220 0.71 MAOA (0.68) MAOAMAOBNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A MAOA 164/4885MAOB 159/4885NPC1 1992/4885

“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.