SCHEMBL4393565

SCHEMBL4393565

Cc1cc(C)c(Nc2nc(N)ncc2-c2ccc3[nH]ncc3c2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.52
TRPA1 O75762 7/20 0.50
USP7 Q93009 2/20 0.43
MAPK14 Q16539 1/20 0.43
TGFBR1 P36897 1/20 0.42
GSK3B P49841 3/20 0.41
ROCK2 O75116 3/20 0.41
PIM1 P11309 2/20 0.41
AURKB Q96GD4 2/20 0.41
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
DYRK3 O43781 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL4398342 0.92 FGFR1 (0.49) MAPKAPK2TRPA1USP7TGFBR1GSK3B
SCHEMBL4398362 0.84 MAP3K11 (0.49) MAPK14CLK1DYRK1ADYRK2DYRK1B
SCHEMBL4396796 0.84 LCK (0.38) MAPKAPK2TRPA1MAPK14GAAMAPT
SCHEMBL4397389 0.80 QPCT (0.45) MAPK14QPCTQPCTLKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL6529235 0.79 MAPKAPK2 (0.54) MAPKAPK2TRPA1USP7TGFBR1GSK3B
SCHEMBL4400611 0.78 TNIK (0.38) MAPK14MEN1GAAKMT2AFGFR1
SCHEMBL4399087 0.77 LCK (0.45) MAPK14CLK1CLK2CLK3DYRK1A
SCHEMBL4399060 0.76 ULK1 (0.46) CLK1CLK2DYRK1ADYRK2CLK4
SCHEMBL2068939 0.76 MAPKAPK2 (0.65) MAPKAPK2TRPA1USP7GSK3BROCK2
SCHEMBL4393571 0.76 PIK3CA (0.51) MEN1KMT2A

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 10 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
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 MAPKAPK2 85/4885TRPA1 4667/4885USP7 3257/4885
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP MAPKAPK2 768/4885TRPA1 4841/4885USP7 2849/4885

“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.