SCHEMBL3929697

SCHEMBL3929697

COC(=O)c1ccc(OCC(=O)N2CCN(c3nc(N)nc4ccc(-c5ccc(F)cc5)nc34)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 3/20 0.49
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPK1 P28482 4/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.42
HTT P42858 2/20 0.42
ENPP2 Q13822 2/20 0.41
RPS6KB1 P23443 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
FKBP1A P62942 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
SCHEMBL4109047 0.93 PI4KB (0.55) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4113637 0.88 PI4KB (0.63) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4108786 0.88 PI4KB (0.51) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL3931899 0.86 PDE4A (0.51) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4116412 0.85 MAPT (0.48) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4122267 0.84 PI4KB (0.57) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4517223 0.84 NPSR1 (0.52) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL3921066 0.84 PDE4A (0.52) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4113988 0.84 PI4KB (0.68) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4511808 0.84 PI4KB (0.61) PI4KBPDE4APDE4BPDE4CPDE4D

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
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-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
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

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-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PI4KB 2347/4885PDE4A 112/4885PDE4B 313/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PI4KB 2347/4885PDE4A 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.