SCHEMBL8158083

SCHEMBL8158083

Cc1cccc(NC(=O)N[C@H]2CCN(c3nc(N)nc4ccc(-c5ccc(F)cc5)nc34)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.44
EPHX2 P34913 1/20 0.43
PI4KB Q9UBF8 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA4 P22748 5/20 0.41
CA7 P43166 5/20 0.41
CA9 Q16790 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AKT1 P31749 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 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
SCHEMBL8155298 1.00 BPTF (0.44) BPTFEPHX2PI4KBDCUN1D1CA12
SCHEMBL8153360 0.88 PDE4A (0.55) EPHX2PI4KBDCUN1D1AKT1CCNC
SCHEMBL8152356 0.88 PDE4A (0.55) EPHX2PI4KBDCUN1D1AKT1CCNC
SCHEMBL4113594 0.86 USP2 (0.52) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL4528644 0.82 PI4KB (0.62) PI4KBRAB9APDE4APDE4BPDE4C
SCHEMBL3924839 0.79 MAP4K4 (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL3927951 0.79 MAP4K4 (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL13948828 0.79 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL4107615 0.79 CA2 (0.41) PI4KBCA2CA4CA9
SCHEMBL14288363 0.79 PI4KB (0.44) PI4KBNPC1RAB9APDE4APDE4B

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 7 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-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-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
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
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 BPTF 3249/4885EPHX2 208/4885PI4KB 2347/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP BPTF 3249/4885EPHX2 208/4885PI4KB 2347/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP BPTF 3249/4885EPHX2 208/4885PI4KB 2347/4885

“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.