SCHEMBL4096289

SCHEMBL4096289

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
MAP4K4 O95819 3/20 0.34
HSP90AA1 P07900 1/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
DHFR P00374 4/20 0.32
CYP19A1 P11511 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPV3 Q8NET8 1/20 0.31

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 0.89 HEXA (0.39) HEXAHEXBMAP4K4HSP90AA1PIK3CA
SCHEMBL4102236 0.87 PIK3CA (0.44) PIK3CAMTOR
SCHEMBL4107114 0.86 HEXA (0.38) HEXAHEXBMAP4K4HSP90AA1PIK3CA
SCHEMBL4097535 0.86 HEXA (0.43) HEXAHEXBMAP4K4HSP90AA1PIK3CA
SCHEMBL4107688 0.86 HEXA (0.38) HEXAHEXBMAP4K4HSP90AA1PIK3CA
SCHEMBL4106988 0.83 MAP4K4 (0.34) HEXAHEXBMAP4K4HSP90AA1DHFR
SCHEMBL4115427 0.82 USP7 (0.43) PIK3CAMTORMAPK1
SCHEMBL4107731 0.81 MAP4K4 (0.36) HEXAHEXBMAP4K4DHFRNPC1
SCHEMBL4095651 0.81 DHFR (0.43) HEXAHEXBMAP4K4DHFRNPC1
SCHEMBL4109860 0.81 MPO (0.42) MAP4K4PIK3CAMTORDHFRCYP19A1

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 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.