SCHEMBL4121824

SCHEMBL4121824

COc1cc(-c2ccc3nc(N)nc(N4CCN(C(=O)COc5ccc(Cl)cc5)CC4)c3n2)ccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.65
PDE4B Q07343 1/20 0.65
PDE4C Q08493 1/20 0.65
PDE4D Q08499 1/20 0.65
PI4KB Q9UBF8 3/20 0.57
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 2/20 0.42
MCHR1 Q99705 1/20 0.41
ENPP2 Q13822 4/20 0.41
PKM P14618 1/20 0.41
NOS1 P29475 1/20 0.41
KMT2A Q03164 2/20 0.40
CBX7 O95931 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 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
SCHEMBL4107708 0.94 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL4102046 0.93 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL4119470 0.92 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL8141037 0.92 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL4111797 0.92 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL8152727 0.91 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL3921138 0.91 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL4101540 0.90 PI4KB (0.63) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL4113988 0.89 PI4KB (0.68) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL4107904 0.89 PI4KB (0.59) PDE4APDE4BPDE4CPDE4DPI4KB

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 10 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 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-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-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-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-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO 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
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
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 (3 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885

“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.