SCHEMBL4396796

SCHEMBL4396796

Cc1cc(C)c(Nc2nc(N)ncc2-c2ccc3[nH]nnc3c2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.38
KDR P35968 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK14 Q16539 1/20 0.38
DHFR P00374 3/20 0.35
MAPKAPK2 P49137 2/20 0.35
ADORA1 P30542 2/20 0.33
FGFR1 P11362 3/20 0.33
SRC P12931 3/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TRPA1 O75762 1/20 0.32
BRAF P15056 1/20 0.32
ADORA2A P29274 1/20 0.32
ABL1 P00519 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAP3K11 Q16584 1/20 0.31

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
SCHEMBL4393565 0.84 MAPKAPK2 (0.52) MAPK14MAPKAPK2FGFR1MAPTTRPA1
SCHEMBL4398362 0.81 MAP3K11 (0.49) LCKKDRJAK3MAPK14CYP3A4
Ammonia Solution, Strong SCHEMBL4396798 0.81 ADORA1 (0.42) LCKKDRJAK3MAPK14DHFR
SCHEMBL4398342 0.81 FGFR1 (0.49) KDRJAK3MAPKAPK2FGFR1SRC
SCHEMBL4397389 0.80 QPCT (0.45) LCKKDRJAK3MAPK14DHFR
SCHEMBL4399087 0.77 LCK (0.45) LCKKDRJAK3MAPK14DHFR
SCHEMBL4401602 0.75 DYRK1A (0.44) LCKKDRJAK3MAPK14DHFR
SCHEMBL4400611 0.75 TNIK (0.38) LCKKDRJAK3MAPK14DHFR
SCHEMBL4399060 0.74 ULK1 (0.46) ADORA1SRCMAPTADORA2ACYP3A4
SCHEMBL4393571 0.73 PIK3CA (0.51) DHFRABL1

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 LCK 146/4885KDR 2342/4885JAK3 74/4885
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP LCK 1894/4885KDR 2089/4885JAK3 601/4885

“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.