SCHEMBL4515412

SCHEMBL4515412

CCCCCOc1nc(N)nc2ccc(-c3cccc(F)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 12/20 0.51
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 1/20 0.42
ADORA2A P29274 1/20 0.42
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
NOS1 P29475 2/20 0.40
MPO P05164 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
SCHEMBL4101395 0.97 MAP4K4 (0.52) MAP4K4TLR8TLR7ADORA2ACDK1
SCHEMBL4122691 0.89 MAP4K4 (0.55) MAP4K4TLR8TLR7ADORA2AMPO
SCHEMBL4531023 0.88 MAP4K4 (0.50) MAP4K4TLR8ADORA2AMPO
SCHEMBL4121625 0.83 MAP4K4 (0.52) MAP4K4ADORA2ACDK1CCNB1CCNA2
SCHEMBL4113486 0.83 TLR8 (0.42) TLR8TLR7ADORA2ACDK1CCNB1
SCHEMBL4114510 0.81 MAP4K4 (0.52) MAP4K4ADORA2ACDK1CCNB1CCNA2
SCHEMBL4113271 0.80 MAP4K4 (0.48) MAP4K4TLR8TLR7ADORA2ACDK1
SCHEMBL4107949 0.80 TLR8 (0.44) TLR8TLR7ADORA2ACDK1CCNB1
SCHEMBL4112449 0.80 MAP4K4 (0.52) MAP4K4ADORA2A
SCHEMBL4108718 0.79 CDK1 (0.39) MAP4K4TLR8TLR7ADORA2ACDK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO MAP4K4 3289/4885TLR8 1791/4885TLR7 851/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MAP4K4 1881/4885TLR8 1505/4885TLR7 1675/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MAP4K4 1881/4885TLR8 1505/4885TLR7 1675/4885

“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.