SCHEMBL4096087

SCHEMBL4096087

CCCCc1ccc(-c2ccc3nc(N)nc(CCC)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
DHFR P00374 6/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
DHODH Q02127 1/20 0.39
MAPT P10636 2/20 0.39
CTRC Q99895 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
SCHEMBL4107576 0.87 TLR7 (0.43) RAB9ASMN1; SMN2NPC1TP53DHFR
SCHEMBL4100741 0.87 TLR7 (0.46) RAB9ASMN1; SMN2NPC1TP53TSHR
SCHEMBL4112365 0.85 XDH (0.41) DHFRHEXAHEXBTLR8TLR7
SCHEMBL4095651 0.84 DHFR (0.43) RAB9ASMN1; SMN2NPC1DHFRHEXA
SCHEMBL4102869 0.83 HEXA (0.39) RAB9ANPC1DHFRMAPK1HEXA
SCHEMBL4102118 0.82 DHFR (0.46) RAB9ASMN1; SMN2TP53DHFRL3MBTL1
SCHEMBL4107851 0.82 HRH2 (0.51) RAB9ASMN1; SMN2NPC1DHFRNFKB1
SCHEMBL4106869 0.82 NPC1 (0.43) RAB9ASMN1; SMN2NPC1DHFRHEXA
SCHEMBL4101745 0.82 HEXA (0.39) DHFRHEXAHEXBTLR8TLR7
SCHEMBL4102933 0.82 HEXA (0.39) SMN1; SMN2TP53DHFRHRH2HRH3

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 RAB9A 3470/4885SMN1; SMN2 2079/4885NPC1 1907/4885

“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.