SCHEMBL4113288

SCHEMBL4113288

NC(=O)C(C(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)CC1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
KIT P10721 3/20 0.39
PI4KB Q9UBF8 2/20 0.39
AKT1 P31749 4/20 0.38
MAPT P10636 1/20 0.38
RPS6KB1 P23443 4/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAP4K4 O95819 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL4101380 0.88 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL8163421 0.84 AKT1 (0.56) PDE4APDE4BPDE4CPDE4DAKT1
SCHEMBL3924950 0.84 AKT1 (0.56) PDE4APDE4BPDE4CPDE4DAKT1
SCHEMBL4108128 0.84 AKT1 (0.56) PDE4APDE4BPDE4CPDE4DAKT1
SCHEMBL4113226 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL3924848 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL4108726 0.82 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4107806 0.82 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPI4KB
SCHEMBL4116868 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4101311 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPT

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 6 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
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-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-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.