SCHEMBL4112349

SCHEMBL4112349

COc1ccc(OC)c(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
EGFR P00533 1/20 0.43
ERBB3 P21860 1/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
MAPK14 Q16539 1/20 0.43
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
YES1 P07947 1/20 0.41
PIM1 P11309 1/20 0.41
KDR P35968 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
APP P05067 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL4110273 0.91 CYP1A1 (0.54) MAP4K4CYP1A1CYP1B1EGFRERBB3
SCHEMBL4102962 0.85 MAP4K4 (0.46) MAP4K4L3MBTL1KDM4EMAPK14APP
SCHEMBL4102154 0.84 SLC10A2 (0.47) MAP4K4L3MBTL1KDM4EMEN1NPC1
SCHEMBL4096163 0.83 DHFR (0.50) CYP1A1CYP1B1L3MBTL1KDM4EMAPK1
SCHEMBL4104651 0.82 MAP4K4 (0.50) MAP4K4CYP1A1CYP1B1MAPK14APP
SCHEMBL4779108 0.81 IDO1 (0.43) MAP4K4KDM4EEGFRMAPK1ABL1
SCHEMBL4107334 0.81 SLC10A2 (0.46) MAP4K4MKNK1MKNK2TDO2IDO1
SCHEMBL4107620 0.76 MAP4K4 (0.46) MAP4K4MAPK14
SCHEMBL4115100 0.76 MAP4K4 (0.52) MAP4K4MKNK1MKNK2
SCHEMBL4102982 0.75 MAP4K4 (0.43) MAP4K4L3MBTL1KDM4EMEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US 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 MAP4K4 2166/4885CYP1A1 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.