SCHEMBL4519978

SCHEMBL4519978

CCOc1nc(N)nc2ccc(-c3c(C)cc(C)cc3C)nc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.40
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR1 P34998 1/20 0.34
MPO P05164 2/20 0.33
TLR8 Q9NR97 1/20 0.33
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
SRC P12931 1/20 0.33
PDPK1 O15530 1/20 0.33
MAP4K4 O95819 1/20 0.33
HSP90AA1 P07900 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4533771 0.86 MAP4K4 (0.39) DHFRALDH1A1NPC1MAPK1RAB9A
SCHEMBL4513221 0.82 RXFP1 (0.43) DHFRALDH1A1NPC1MAPK1RAB9A
SCHEMBL4534714 0.80 ADORA2A (0.42) DHFRALDH1A1NPC1MAPK1RAB9A
SCHEMBL4528297 0.80 MAP4K4 (0.49) DHFRALDH1A1NPC1MAPK1RAB9A
SCHEMBL3755725 0.80 NOS1 (0.39) DHFRCRHR1MPO
SCHEMBL4525891 0.78 TLR8 (0.40) DHFRMPOTLR8MAP4K4HSP90AA1
SCHEMBL4102078 0.78 KDM4E (0.42) DHFRALDH1A1TLR8MAP4K4
SCHEMBL823714 0.77 MAPT (0.40) DHFRALDH1A1NPC1MAPK1RAB9A
SCHEMBL4525197 0.77 ALDH1A1 (0.52) DHFRALDH1A1NPC1MAPK1RAB9A
SCHEMBL4537635 0.77 MAP4K4 (0.46) MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed

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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO DHFR 13/4885ALDH1A1 1010/4885NPC1 1302/4885

“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.