SCHEMBL4121600

SCHEMBL4121600

CCCNC(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
KIT P10721 7/20 0.45
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PI4KB Q9UBF8 4/20 0.42
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4108274 0.95 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4108039 0.94 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4100992 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4116718 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4121704 0.93 KIT (0.53) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4106964 0.89 KMT2A (0.47) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL4112429 0.88 KIT (0.53) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4113417 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4113528 0.87 MAPK1 (0.44) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4511854 0.86 PI4KB (0.51) PDE4APDE4BPDE4CPDE4DKIT

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.