SCHEMBL4101993

SCHEMBL4101993

CCCc1nc(N)nc2ccc(-c3c(-c4ccccc4)noc3C)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.45
PTGS1 P23219 4/20 0.45
MAPK14 Q16539 2/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 1/20 0.39
MT-CO2 P00403 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CA3 P07451 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL4107587 0.87 PTGS2 (0.45) PTGS2PTGS1MAPK14KCNH2HRH3
SCHEMBL4102246 0.85 PTGS2 (0.52) PTGS2PTGS1MAPK14KCNH2HRH3
SCHEMBL4102764 0.84 TLR8 (0.40) DHFRHEXAHEXBTLR8
SCHEMBL4100925 0.78 BRD4 (0.49) PTGS2PTGS1MAPK14KCNH2HRH3
SCHEMBL4102110 0.75 DHFR (0.39) DHFRHEXAHEXBTLR8
SCHEMBL4103089 0.75 BRD4 (0.42) MAPTKMT2ALMNACYP3A4DHFR
SCHEMBL4102078 0.73 KDM4E (0.42) KCNH2MAPTDHFRKDM4EALDH1A1
SCHEMBL4114967 0.72 NPC1 (0.43) HRH3MAPTDHFRALDH1A1MAPK1
SCHEMBL4101904 0.71 CYP1A2 (0.48) MAPTNPSR1KMT2ALMNADHFR
SCHEMBL4107765 0.71 ADORA2A (0.38) KCNH2CA1CA2ADORA1DHFR

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 6 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
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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 PTGS2 1097/4885PTGS1 1117/4885MAPK14 3860/4885

“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.