SCHEMBL4097719

SCHEMBL4097719

CCCc1nc(N)nc2ccc(-c3cncc(C)c3)nc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.37
HEXA P06865 4/20 0.36
HEXB P07686 4/20 0.36
DHFR P00374 4/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
TLR7 Q9NYK1 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP2A6 P11509 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL4107731 0.86 MAP4K4 (0.36) MAP4K4HEXAHEXBDHFRCYP11B2
SCHEMBL4103447 0.82 MPO (0.41) MAP4K4DHFRCYP11B1CYP11B2TLR7
SCHEMBL4102869 0.82 HEXA (0.39) MAP4K4HEXAHEXBDHFRTLR7
SCHEMBL4105844 0.81 MAP4K4 (0.39) MAP4K4HEXAHEXBDHFRKDM4E
SCHEMBL4106988 0.81 MAP4K4 (0.34) MAP4K4HEXAHEXBDHFRKDM4E
SCHEMBL4113912 0.81 MAP4K4 (0.35) MAP4K4HEXAHEXBDHFRTLR7
SCHEMBL4107765 0.80 ADORA2A (0.38) MAP4K4HEXAHEXBDHFRNOS3
SCHEMBL4102271 0.80 PIK3CA (0.42) MAP4K4CYP2A6
SCHEMBL4097661 0.80 CCR1 (0.42) HEXAHEXBDHFRTLR7NOS3
SCHEMBL4102078 0.80 KDM4E (0.42) MAP4K4HEXAHEXBDHFRTLR7

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-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 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 (1 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD MAP4K4 2166/4885HEXA 837/4885HEXB 595/4885

“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.