SCHEMBL4397389

SCHEMBL4397389

Cc1cc(C)c(Nc2nc(N)ncc2-c2ccc3nc[nH]c3c2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.45
QPCTL Q9NXS2 5/20 0.45
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK14 Q16539 1/20 0.41
PRKCI P41743 2/20 0.40
KMT2A Q03164 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.38
RAD52 P43351 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL4398362 0.82 MAP3K11 (0.49) LCKKDRJAK3MAPK14BRD4
SCHEMBL4398342 0.81 FGFR1 (0.49) KDRJAK3KMT2AKDM4EMAPT
Ammonia Solution, Strong SCHEMBL6500596 0.80 QPCT (0.46) QPCTQPCTLLCKKDRJAK3
SCHEMBL4393565 0.80 MAPKAPK2 (0.52) QPCTQPCTLMAPK14KMT2AKDM4E
SCHEMBL4399087 0.80 LCK (0.45) LCKKDRJAK3MAPK14KDM4E
SCHEMBL4396796 0.80 LCK (0.38) LCKKDRJAK3MAPK14MAPT
SCHEMBL4401602 0.78 DYRK1A (0.44) LCKKDRJAK3MAPK14PIK3CA
SCHEMBL4400611 0.76 TNIK (0.38) LCKKDRJAK3MAPK14KMT2A
SCHEMBL4399060 0.75 ULK1 (0.46) KMT2AKDM4EMAPTNPC1ALDH1A1
SCHEMBL4393571 0.74 PIK3CA (0.51) KMT2APIK3CAMTORTNIKDHFR

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 claimed
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 US claimed
EP-1448556-A1 HETEROARYL AMINES AS GLYCOGEN SYNTHASE KINASE 3BETA INHIBITORS (GSK3 INHIBITORS) JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-25 EP claimed
WO-2003037891-A1 HETEROARYL AMINES AS GLYCOGEN SYNTHASE KINASE 3BETA INHIBITORS (GSK3 INHIBITORS) JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 WO claimed
US-20090306045-A1 Inhibition of Glycogen Synthase Kinase and Methods of Treating Autoimmune or Immune Inflammatory Disease NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-10 US disclosed
US-7514445-B2 Heteroaryl amines as glycogen synthase kinase 3β inhibitors (GSK3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-07 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
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-20090306045-A1 Inhibition of Glycogen Synthase Kinase and Methods of Treating Autoimmune or Immune Inflammatory Disease GSK3B, GSK3A, GSKIP QPCT 2085/4885QPCTL 4447/4885LCK 146/4885
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP QPCT 882/4885QPCTL 2873/4885LCK 1894/4885

“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.