SCHEMBL4485604

SCHEMBL4485604

N#Cc1ccc(N)cc1OCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.55
FNTB P49356 5/20 0.55
PGGT1B P53609 5/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAOB P27338 5/20 0.47
MAOA P21397 4/20 0.47
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL2700393 0.85 MAOB (0.56) FNTAFNTBPGGT1BRAB9AMAOB
SCHEMBL18034623 0.85 MAOB (0.47) FNTAFNTBPGGT1BRAB9AMAOB
Hydrochloric Acid SCHEMBL4488053 0.84 MAOB (0.55) FNTAFNTBPGGT1BRAB9AMAOB
SCHEMBL8155625 0.81 FNTA (0.60) FNTAFNTBPGGT1BMAOBMAOA
SCHEMBL22784142 0.81 MAOB (0.54) FNTAFNTBPGGT1BMAOBMAOA
SCHEMBL6957296 0.81 FNTA (0.52) FNTAFNTBPGGT1BNPC1RAB9A
SCHEMBL16943311 0.78 KDM4E (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL361193 0.77 ALDH1A1 (0.47) FNTAFNTBPGGT1BKDM4EUSP2
SCHEMBL6431488 0.77 KDM4E (0.56) KDM4EUSP2ALDH1A1
SCHEMBL8807037 0.76 MAOB (0.60) RAB9AMAOBMAOAKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514445-B2 Heteroaryl amines as glycogen synthase kinase 3β inhibitors (GSK3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-07 US disclosed
EP-1442019-B1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-10-10 EP disclosed
US-7183288-B2 Amide derivatives as glycogen synthase kinase 3-β inhibitors FREYNE EDDY JEAN EDGARD 2007-02-27 US disclosed
US-20050176713-A1 Amide derivatives as glycogen synthase kinase 3-beta inhibitors FREYNE EDDY JEAN E (BE) 2005-08-11 US disclosed
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 US disclosed
EP-1448556-A1 HETEROARYL AMINES AS GLYCOGEN SYNTHASE KINASE 3BETA INHIBITORS (GSK3 INHIBITORS) JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-25 EP disclosed
EP-1442019-A1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-04 EP disclosed
WO-2003037869-A1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 WO disclosed
WO-2003037891-A1 HETEROARYL AMINES AS GLYCOGEN SYNTHASE KINASE 3BETA INHIBITORS (GSK3 INHIBITORS) JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 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 (2 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-20050176713-A1 Amide derivatives as glycogen synthase kinase 3-beta inhibitors GSK3B, GSK3A, PHKG1 FNTA 3602/4885FNTB 884/4885PGGT1B 2160/4885
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP FNTA 2355/4885FNTB 789/4885PGGT1B 1085/4885

“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.