SCHEMBL4400611

SCHEMBL4400611

Cc1cc(C)c(Nc2nc(N)ncc2-c2ccc(Cl)nc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.38
DHFR P00374 3/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
JAK3 P52333 1/20 0.37
MAPK14 Q16539 1/20 0.37
PIK3CD O00329 1/20 0.37
RPS6KA3 P51812 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
SRC P12931 3/20 0.36
PDGFRB P09619 2/20 0.36
FGFR1 P11362 2/20 0.36
PDGFRA P16234 2/20 0.36
PIK3CA P42336 2/20 0.36
BCL6 P41182 1/20 0.35
ADORA1 P30542 2/20 0.34
ADORA2A P29274 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4393571 0.83 PIK3CA (0.51) TNIKDHFRPIK3CDPIK3CAMEN1
SCHEMBL4393565 0.78 MAPKAPK2 (0.52) MAPK14GAAFGFR1MEN1KMT2A
SCHEMBL4398362 0.78 MAP3K11 (0.49) LCKKDRJAK3MAPK14
SCHEMBL4399087 0.78 LCK (0.45) DHFRLCKKDRJAK3MAPK14
Ammonia Solution, Strong SCHEMBL6496905 0.78 RPS6KA3 (0.46) DHFRLCKKDRJAK3MAPK14
SCHEMBL4398342 0.77 FGFR1 (0.49) KDRJAK3PIK3CDRPS6KA3SRC
SCHEMBL4399060 0.77 ULK1 (0.46) LMNASRCADORA1ADORA2AMEN1
SCHEMBL4401602 0.76 DYRK1A (0.44) DHFRLCKKDRJAK3MAPK14
SCHEMBL4397389 0.76 QPCT (0.45) TNIKDHFRLCKKDRJAK3
SCHEMBL4396796 0.75 LCK (0.38) DHFRLCKKDRJAK3MAPK14

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 TNIK 165/4885DHFR 4710/4885LCK 146/4885
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP TNIK 919/4885DHFR 2507/4885LCK 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.