SCHEMBL1414042

SCHEMBL1414042

NC1=Nc2cnccc2CN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
GAA P10253 1/20 0.32
AOC1 P19801 1/20 0.31
AOC3 Q16853 1/20 0.31
HSP90AA1 P07900 1/20 0.30
CHRNA7 P36544 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNA1 Q09470 1/20 0.30

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
SCHEMBL24064062 0.85 PDE3B (0.41) PDE3BPDE3ACHRNB2CHRNA4SIGMAR1
SCHEMBL13844803 0.77 PDE3B (0.41) PDE3BPDE3ACHRNB2CHRNA4SIGMAR1
SCHEMBL1414242 0.76 NOS3 (0.48) PDE3BPDE3ASIGMAR1GAAMEN1
SCHEMBL22085074 0.67 CHRNB2 (0.38) PDE3BPDE3ACHRNB2CHRNA4SIGMAR1
SCHEMBL3427220 0.67 CHRNB2 (0.42) PDE3BPDE3ACHRNB2CHRNA4SIGMAR1
SCHEMBL1105684 0.64 PDE3B (0.39) PDE3BPDE3ACHRNB2CHRNA4SIGMAR1
SCHEMBL24591015 0.63 SIGMAR1 (0.38) PDE3BPDE3ACHRNB2CHRNA4SIGMAR1
SCHEMBL31544358 0.62 SIRT3 (0.43) PDE3BPDE3ACHRNB2CHRNA4SIGMAR1
SCHEMBL1118591 0.61
SCHEMBL29378632 0.61

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966198-B1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-03-16 EP disclosed
EP-1966198-B1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-03-16 EP disclosed
EP-1966198-B1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-03-16 EP disclosed
EP-1966198-B1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-03-16 EP disclosed
US-20100292157-A1 Combination Treatments for Alzheimer's Disease and Similar Diseases WARATAH PHARMACEUTICALS INC. (CA) 2010-11-18 US disclosed
US-7531545-B2 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-12 US disclosed
US-7531545-B2 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-12 US disclosed
US-7531545-B2 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-12 US disclosed
EP-1966198-A1 2-AMINO-3,4-DIHYDRO-PYRIDOÝ3,4-D¨PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-10 EP disclosed
EP-1966198-A1 2-AMINO-3,4-DIHYDRO-PYRIDOÝ3,4-D¨PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-10 EP disclosed
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BAXTER ELLEN E 2007-11-08 US disclosed
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BAXTER ELLEN E 2007-11-08 US disclosed
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BAXTER ELLEN E 2007-11-08 US disclosed
WO-2007050612-A1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 WO disclosed
WO-2007050612-A1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 WO disclosed
WO-2007050612-A1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 WO disclosed
WO-2007050612-A1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20100292157-A1 Combination Treatments for Alzheimer's Disease and Similar Diseases APP, PSEN1, BACE1 PDE3B 2143/4885PDE3A 1908/4885CHRNB2 45/4885
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BACE2, PSEN2, BACE1 PDE3B 2668/4885PDE3A 3005/4885CHRNB2 60/4885

“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.