SCHEMBL4398362

SCHEMBL4398362

Cc1cc(C)c(Nc2nc(N)ncc2-c2ccc3[nH]ccc3c2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 8/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
LRRK2 Q5S007 6/20 0.43
CYP2C9 P11712 1/20 0.43
DYRK1A Q13627 2/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
FYN P06241 1/20 0.39
FGFR2 P21802 1/20 0.38
FLT3 P36888 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK14 Q16539 1/20 0.38
BRD4 O60885 1/20 0.38
CLK1 P49759 1/20 0.37

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) DYRK1ADYRK2DYRK1BMAPK14CLK1
SCHEMBL4397389 0.82 QPCT (0.45) LCKKDRJAK3MAPK14BRD4
SCHEMBL4396796 0.81 LCK (0.38) MAP3K11CYP3A4CYP2D6LCKKDR
SCHEMBL4398342 0.81 FGFR1 (0.49) DYRK1AFYNFGFR2FLT3KDR
SCHEMBL4400611 0.78 TNIK (0.38) LCKKDRJAK3MAPK14
SCHEMBL4399087 0.77 LCK (0.45) DYRK1ALCKKDRJAK3MAPK14
SCHEMBL4399060 0.76 ULK1 (0.46) CYP3A4CYP2D6CYP2C9DYRK1ADYRK2
SCHEMBL2745043 0.76 DHFR (0.59) MAP3K11CYP3A4CYP2D6LRRK2CYP2C9
SCHEMBL4393571 0.76 PIK3CA (0.51)
SCHEMBL4401602 0.76 DYRK1A (0.44) DYRK1ADYRK2LCKKDRJAK3

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 5 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
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 US 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 MAP3K11 103/4885CYP3A4 3043/4885CYP2D6 3061/4885
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP MAP3K11 340/4885CYP3A4 1349/4885CYP2D6 1237/4885

“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.