SCHEMBL4101904

SCHEMBL4101904

CCCc1nc(N)nc2ccc(-c3ccc4ccccc4c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
SRC P12931 1/20 0.44
MAP4K4 O95819 1/20 0.42
TLR7 Q9NYK1 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AR P10275 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 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
SCHEMBL4097586 0.85 ALOX5 (0.42) SRCKDM4EMAPTNPC1ALDH1A1
SCHEMBL4102271 0.84 PIK3CA (0.42) MAP4K4
SCHEMBL4114967 0.83 NPC1 (0.43) MAP4K4MAPTNPC1ALDH1A1RAB9A
SCHEMBL4107221 0.82 CYP1A1 (0.49) CYP1A2CYP1A1CYP1B1SRCMAP4K4
SCHEMBL4113326 0.82 MAP4K4 (0.56) MAP4K4TLR7KDM4EALDH1A1DHFR
SCHEMBL4107851 0.81 HRH2 (0.51) TLR7KDM4EMAPTNPC1ALDH1A1
SCHEMBL4102118 0.81 DHFR (0.46) CYP1A2MAP4K4TLR7MAPTALDH1A1
SCHEMBL4844962 0.81 MAP4K4 (0.52) MAP4K4TLR7KDM4EMAPTALDH1A1
SCHEMBL4095651 0.81 DHFR (0.43) MAP4K4TLR7KDM4ENPC1ALDH1A1
SCHEMBL4107065 0.80 DHFR (0.41) SRCMAP4K4NPC1RAB9ASMN1; SMN2

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 CYP1A2 115/4885CYP1A1 361/4885CYP1B1 337/4885

“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.