SCHEMBL4533730

SCHEMBL4533730

CCOc1nc(N)nc2ccc(-c3cccc(F)c3F)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.35
MPO P05164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
TGFBR1 P36897 1/20 0.34
ADORA2A P29274 1/20 0.34
PDCD1LG2 Q9BQ51 4/20 0.34
CD274 Q9NZQ7 4/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL4528709 0.90 ADORA2A (0.41) DHFRMPORXFP1PDE1APDE1B
SCHEMBL4524970 0.89 TRPV3 (0.35) DHFRMPORXFP1PDE1APDE1B
SCHEMBL4520276 0.83 PDE1A (0.41) DHFRPDE1APDE1BPDE1CTGFBR1
SCHEMBL4107911 0.83 ALDH1A1 (0.47) MPOTGFBR1ADORA2AALDH1A1MAPK1
SCHEMBL4530356 0.83 ALDH1A1 (0.38) DHFRMPORXFP1TGFBR1ADORA2A
SCHEMBL4108704 0.82 TLR8 (0.42) DHFRMPOADORA2AALDH1A1MAPK1
SCHEMBL3757250 0.82 NOS1 (0.42) MPOCD274ALDH1A1
SCHEMBL4512860 0.81 DHFR (0.50) DHFRADORA2AGAAL3MBTL1ALDH1A1
SCHEMBL4534714 0.81 ADORA2A (0.42) DHFRMPOPDE1APDE1BPDE1C
SCHEMBL4107949 0.81 TLR8 (0.44) DHFRMPOADORA2AALDH1A1MAPK1

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-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-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
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 DHFR 13/4885MPO 3990/4885RXFP1 4638/4885

“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.