SCHEMBL4097535

SCHEMBL4097535

CCCc1nc(N)nc2ccc(-c3ccc(Cl)nc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 2/20 0.43
HEXB P07686 2/20 0.43
MAP4K4 O95819 2/20 0.39
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PIK3CD O00329 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DHFR P00374 2/20 0.34
SLC22A1 O15245 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4101492 0.88 HEXA (0.39) HEXAHEXBMAP4K4PIK3CDNPC1
SCHEMBL4096289 0.86 HEXA (0.39) HEXAHEXBMAP4K4TRPV3NPC1
SCHEMBL4107688 0.85 HEXA (0.38) HEXAHEXBMAP4K4TRPV3NPC1
SCHEMBL4107114 0.85 HEXA (0.38) HEXAHEXBMAP4K4TRPV3NPC1
SCHEMBL4102236 0.83 PIK3CA (0.44) PIK3CDPIK3CAMTOR
SCHEMBL4105844 0.82 MAP4K4 (0.39) HEXAHEXBMAP4K4NPC1ALDH1A1
SCHEMBL4103549 0.82 MAP4K4 (0.43) HEXAHEXBMAP4K4ALDH1A1LMNA
SCHEMBL4108301 0.81 HEXA (0.47) HEXAHEXBKCNH2ALDH1A1MEN1
SCHEMBL4101754 0.81 MPO (0.41) MAP4K4KCNH2HRH3PIK3CDNPC1
SCHEMBL4115427 0.81 USP7 (0.43) CYP3A4MAPK1PIK3CAMTOR

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 HEXA 837/4885HEXB 595/4885MAP4K4 2166/4885

“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.