SCHEMBL4398342

SCHEMBL4398342

Cc1cc(C)c(Nc2nc(N)ncc2-c2ccc3cn[nH]c3c2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.49
MAPKAPK2 P49137 2/20 0.43
USP7 Q93009 2/20 0.43
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
FGFR2 P21802 3/20 0.41
MAPK1 P28482 2/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
PDPK1 O15530 1/20 0.41
DYRK3 O43781 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
INSR P06213 1/20 0.41
FYN P06241 1/20 0.41
CDK1 P06493 1/20 0.41

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 0.92 MAPKAPK2 (0.52) FGFR1MAPKAPK2USP7DYRK3ROCK2
SCHEMBL4397389 0.81 QPCT (0.45) KDRJAK3MELKKDM4EMAPT
SCHEMBL4398362 0.81 MAP3K11 (0.49) FGFR2FYNKDRFLT3JAK3
SCHEMBL4396796 0.81 LCK (0.38) FGFR1MAPKAPK2ABL1SRCKDR
SCHEMBL4400611 0.77 TNIK (0.38) FGFR1SRCKDRRPS6KA3JAK3
SCHEMBL4399087 0.76 LCK (0.45) SRCKDRCLK2JAK3DYRK1A
SCHEMBL4399060 0.76 ULK1 (0.46) MAPK1SRCCLK2DYRK1ACLK4
SCHEMBL2745386 0.75 DHFR (0.59) FGFR1MAPKAPK2USP7CCNKCDK12
SCHEMBL4393571 0.75 PIK3CA (0.51) JAK2ABL1MEN1KMT2APIK3CD
SCHEMBL4401602 0.75 DYRK1A (0.44) KDRJAK3DYRK1APIK3CATGFBR1

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 FGFR1 2862/4885MAPKAPK2 85/4885USP7 3257/4885
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP FGFR1 1959/4885MAPKAPK2 768/4885USP7 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.