SCHEMBL3920443

SCHEMBL3920443

CCCCOc1nc(N2CCNCC2C(=O)Nc2cccc(C)c2)c2nc(-c3ccc(OC)c(OC)c3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDPK1 O15530 3/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
PTGS2 P35354 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4121596 0.92 PDE4A (0.41) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL4521469 0.87 PDE4A (0.51) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL3922549 0.87 PDE4A (0.44) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL4524902 0.86 FYN (0.41) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL4106830 0.85 PDPK1 (0.42) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL4113136 0.85 PDPK1 (0.42) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL4102431 0.83 PDE4A (0.49) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL4112903 0.82 FYN (0.40) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL4113839 0.82 PDE4A (0.45) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL5463628 0.79 NOS1 (0.51) DHODHPDE4APDE4BPDE4CPDE4D

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-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US claimed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US claimed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO claimed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (4 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO DHODH 60/4885PDE4A 1370/4885PDE4B 1438/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP DHODH 66/4885PDE4A 112/4885PDE4B 313/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP DHODH 66/4885PDE4A 112/4885PDE4B 313/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP DHODH 66/4885PDE4A 112/4885PDE4B 313/4885

“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.