SCHEMBL4530184

SCHEMBL4530184

N#Cc1ccc(COc2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.47
MGMT P16455 2/20 0.46
GHSR Q92847 1/20 0.41
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DHFR P00374 1/20 0.37
CNR1 P21554 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.36
SCN9A Q15858 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
SCHEMBL4529689 0.91 MPO (0.55) MPOMGMTCYP3A4KDM4EMEN1
SCHEMBL4006120 0.85 MPO (0.49) MPOMGMTCYP3A4DHFRSCN9A
SCHEMBL4528419 0.84 MPO (0.54) MPOMGMTKDM4EDHFRTLR8
SCHEMBL4536355 0.82 TLR8 (0.40) GHSRKDM4EMEN1HPGDKMT2A
SCHEMBL4122428 0.78 MPO (0.39) MPOMGMTKDM4EALDH1A1DHFR
SCHEMBL4529946 0.78 PIN1 (0.48) MPOMGMTDHFRTLR8TLR7
SCHEMBL3603371 0.78 MAOB (0.48) MPOMGMTKDM4EMEN1HPGD
SCHEMBL4524522 0.77 MAPT (0.46) MPOMGMTKDM4EMEN1KMT2A
SCHEMBL3610322 0.77 PDE5A (0.40) MPOMEN1KMT2ADHFRCNR1
SCHEMBL4108718 0.76 CDK1 (0.39) MPOKDM4EMEN1KMT2ADHFR

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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO 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 MPO 3990/4885MGMT 2962/4885GHSR 4582/4885

“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.