SCHEMBL4113271

SCHEMBL4113271

CCC(C)Oc1nc(N)nc2ccc(-c3cccc(F)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 13/20 0.48
ADORA2A P29274 1/20 0.42
SLC2A1 P11166 1/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV3 Q8NET8 1/20 0.37

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
SCHEMBL4112449 0.89 MAP4K4 (0.52) MAP4K4ADORA2AKDM4EMEN1MAPT
SCHEMBL4106500 0.86 SLC2A1 (0.44) MAP4K4ADORA2ASLC2A1CDK1CCNB1
SCHEMBL4122691 0.84 MAP4K4 (0.55) MAP4K4ADORA2ATLR8TLR7KDM4E
SCHEMBL4121625 0.83 MAP4K4 (0.52) MAP4K4ADORA2ACDK1CCNB1CCNA2
SCHEMBL4101395 0.81 MAP4K4 (0.52) MAP4K4ADORA2ACDK1CCNB1CCNA2
SCHEMBL4515412 0.80 MAP4K4 (0.51) MAP4K4ADORA2ACDK1CCNB1CCNA2
SCHEMBL4106491 0.80 SLC2A1 (0.40) ADORA2ASLC2A1CDK1CCNB1CCNA2
SCHEMBL4531023 0.80 MAP4K4 (0.50) MAP4K4ADORA2ATLR8
SCHEMBL3613246 0.77 DHFR (0.37) MAP4K4ADORA2ASLC2A1TLR8TLR7
SCHEMBL4114510 0.77 MAP4K4 (0.52) MAP4K4ADORA2ACDK1CCNB1CCNA2

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 5 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-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 (4 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 3289/4885ADORA2A 252/4885SLC2A1 3203/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MAP4K4 1881/4885ADORA2A 159/4885SLC2A1 3648/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MAP4K4 1881/4885ADORA2A 159/4885SLC2A1 3648/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MAP4K4 1881/4885ADORA2A 159/4885SLC2A1 3648/4885

“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.