SCHEMBL4111971

SCHEMBL4111971

Nc1nc(N2CCN(C(=O)NCc3cccc(F)c3)CC2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
KIT P10721 15/20 0.48
P2RY12 Q9H244 2/20 0.46
TP53 P04637 1/20 0.46
PI4KB Q9UBF8 1/20 0.44

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
SCHEMBL4119575 0.93 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4121099 0.93 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4100935 0.92 TP53 (0.55) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4112429 0.91 KIT (0.53) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4113289 0.90 KIT (0.61) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4113664 0.90 PDGFRB (0.41) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4114339 0.89 P2RY12 (0.47) KITP2RY12TP53
SCHEMBL4119443 0.89 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL4118447 0.87 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL11912946 0.87 KIT (0.49) 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.