SCHEMBL4536355

SCHEMBL4536355

CCOc1nc(N)nc2ccc(-c3ccc(C#N)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
AGPAT2 O15120 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 2/20 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
SCHEMBL4536335 0.86 ADORA2A (0.46) TLR8TLR7HRH4AGPAT2ALDH1A1
SCHEMBL823714 0.86 MAPT (0.40) ALDH1A1KDM4EHPGDDHFRMAOB
SCHEMBL4513221 0.85 RXFP1 (0.43) ALDH1A1KDM4EHPGDHTTDHFR
SCHEMBL4533861 0.84 PIK3CG (0.43) ALDH1A1HPGDDHFRMAPK1NPC1
SCHEMBL4122428 0.84 MPO (0.39) TLR8TLR7ALDH1A1KDM4EDHFR
SCHEMBL4529751 0.84 MAP4K4 (0.44) HTR1AADRA2AHTR2AAGPAT2ALDH1A1
SCHEMBL4525197 0.83 ALDH1A1 (0.52) TLR8ALDH1A1KDM4EHPGDHTT
SCHEMBL4534215 0.82 ALDH1A1 (0.47) HRH3PARP1ALDH1A1KDM4EHPGD
SCHEMBL4526926 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDDHFRMAPK1
SCHEMBL4530184 0.82 MPO (0.47) TLR8TLR7HRH3ALDH1A1KDM4E

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 TLR8 1791/4885TLR7 851/4885HRH4 1280/4885

“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.