SCHEMBL4393571

SCHEMBL4393571

COc1ccc(-c2cnc(N)nc2Nc2c(C)cc(C)cc2C)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.51
CYP2A6 P11509 1/20 0.43
DHFR P00374 1/20 0.43
PIK3CD O00329 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
JAK2 O60674 1/20 0.41
MTOR P42345 1/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
ABL1 P00519 1/20 0.40
TNIK Q9UKE5 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 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
SCHEMBL4400611 0.83 TNIK (0.38) PIK3CADHFRPIK3CDMEN1KMT2A
Ammonia Solution, Strong SCHEMBL6500606 0.79 KMT2A (0.48) PIK3CACYP2A6DHFRJAK2MTOR
SCHEMBL4399087 0.76 LCK (0.45) PIK3CADHFRMTOR
SCHEMBL4398362 0.76 MAP3K11 (0.49)
SCHEMBL4393565 0.76 MAPKAPK2 (0.52) MEN1KMT2A
SCHEMBL4399060 0.75 ULK1 (0.46) MEN1KMT2A
SCHEMBL4398342 0.75 FGFR1 (0.49) PIK3CAPIK3CDPIK3CBPIK3CGJAK2
SCHEMBL4397389 0.74 QPCT (0.45) PIK3CADHFRMTORKMT2ATNIK
SCHEMBL4401602 0.74 DYRK1A (0.44) PIK3CADHFR
SCHEMBL4396796 0.73 LCK (0.38) 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 PIK3CA 857/4885CYP2A6 3527/4885DHFR 4710/4885
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP PIK3CA 296/4885CYP2A6 1915/4885DHFR 2507/4885

“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.