SCHEMBL4401602

SCHEMBL4401602

Cc1cc(C)c(Nc2nc(N)ncc2-c2ccc3ncsc3c2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK14 Q16539 1/20 0.41
VRK1 Q99986 1/20 0.38
PFKFB3 Q16875 4/20 0.37
TGFBR1 P36897 4/20 0.36
ADORA1 P30542 1/20 0.36
RIPK1 Q13546 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
DYRK2 Q92630 1/20 0.36
RIPK2 O43353 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
PRKD1 Q15139 1/20 0.36
IKBKB O14920 1/20 0.36
DHFR P00374 1/20 0.36
BMPR1A P36894 1/20 0.35
SMAD2 Q15796 1/20 0.35
PIK3CA P42336 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL4401603 0.81 DYRK1A (0.47) DYRK1ALCKKDRJAK3MAPK14
SCHEMBL4399087 0.80 LCK (0.45) DYRK1ALCKKDRJAK3MAPK14
SCHEMBL4397389 0.78 QPCT (0.45) LCKKDRJAK3MAPK14DHFR
SCHEMBL6313258 0.77 DYRK1A (0.43) DYRK1AVRK1PFKFB3TGFBR1ADORA1
SCHEMBL31403185 0.76 TOP2A (0.46) DYRK1AVRK1PFKFB3TGFBR1IRAK4
SCHEMBL4400611 0.76 TNIK (0.38) LCKKDRJAK3MAPK14ADORA1
SCHEMBL4398362 0.76 MAP3K11 (0.49) DYRK1ALCKKDRJAK3MAPK14
SCHEMBL4393565 0.76 MAPKAPK2 (0.52) DYRK1AMAPK14TGFBR1DYRK2
SCHEMBL4396796 0.75 LCK (0.38) LCKKDRJAK3MAPK14ADORA1
SCHEMBL30945399 0.75 DYRK1A (0.56) DYRK1ALCKKDRJAK3MAPK14

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 8 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
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
WO-2007075911-A2 INHIBITION OF GLYCOGEN SYNTHASE KINASE AND METHODS OF TREATING AUTOIMMUNE OR IMMUNE INFLAMMATORY DISEASE YALE UNIVERSITY (US) 2007-07-05 WO 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 DYRK1A 69/4885LCK 146/4885KDR 2342/4885
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP DYRK1A 304/4885LCK 1894/4885KDR 2089/4885

“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.