SCHEMBL4121965

SCHEMBL4121965

Nc1nc(N2CCN(C(=S)NCc3ccc(Cl)cc3)CC2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 5/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
KIT P10721 2/20 0.44
PDGFRB P09619 3/20 0.44
PDGFRA P16234 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4106755 0.96 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4107667 0.91 PDGFRB (0.45) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4107922 0.91 PDGFRB (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4110573 0.90 PDGFRB (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4118447 0.90 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4116898 0.89 PI4KB (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4108083 0.89 MEN1 (0.44) MEN1KMT2AMAPTPOLBHTT
SCHEMBL4113664 0.87 PDGFRB (0.41) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4107542 0.86 PDGFRB (0.46) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4114365 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMEN1

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 3 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-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.