SCHEMBL4534010

SCHEMBL4534010

COCCOc1nc(N)nc2ccc(-c3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
TLR7 Q9NYK1 2/20 0.41
TLR8 Q9NR97 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
MAP4K4 O95819 2/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
MPO P05164 1/20 0.38
ADORA2A P29274 2/20 0.38
AURKA O14965 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PRKACA P17612 1/20 0.38
ADORA1 P30542 1/20 0.37
TDO2 P48775 1/20 0.36
NLRP3 Q96P20 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL4516860 0.90 MAPT (0.41) TSHRTLR7TLR8SQORMAP4K4
SCHEMBL4528643 0.89 TSHR (0.39) TSHRTLR7TLR8MAP4K4ALDH1A1
SCHEMBL4527664 0.89 TSHR (0.42) TSHRTLR7TLR8SQORMAP4K4
SCHEMBL4520304 0.88 MAP4K4 (0.41) TSHRMAP4K4ALDH1A1NPC1RAB9A
SCHEMBL4519618 0.88 PIK3CG (0.40) TSHRMAP4K4NPC1
SCHEMBL3613491 0.88 SQOR (0.45) TSHRTLR7TLR8SQORMAP4K4
SCHEMBL4526324 0.85 CBFB (0.42) TSHRTLR7TLR8SQORMAP4K4
SCHEMBL4525197 0.85 ALDH1A1 (0.52) TSHRTLR8MAP4K4ALDH1A1NPC1
SCHEMBL4521271 0.84 MPO (0.40) TSHRTLR7TLR8SQORMAP4K4
SCHEMBL4527647 0.84 SQOR (0.43) TSHRSQORMAP4K4NPC1RAB9A

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 4 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
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO TSHR 3042/4885TLR7 851/4885TLR8 1791/4885

“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.