SCHEMBL4528419

SCHEMBL4528419

Nc1nc(OCc2ccc(C(F)(F)F)cc2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.54
MGMT P16455 2/20 0.47
MAOB P27338 3/20 0.40
KDM4E B2RXH2 1/20 0.39
LTA4H P09960 1/20 0.39
DHFR P00374 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
IDO1 P14902 1/20 0.36
FEN1 P39748 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 0.92 MPO (0.55) MPOMGMTMAOBKDM4EDHFR
SCHEMBL4006120 0.86 MPO (0.49) MPOMGMTDHFR
SCHEMBL4526222 0.84 KDM4E (0.44) MPOMGMTKDM4EDHFRFEN1
SCHEMBL4530184 0.84 MPO (0.47) MPOMGMTMAOBKDM4EDHFR
SCHEMBL4517256 0.83 HEXA (0.42) MPOKDM4ELTA4HDHFRTLR8
SCHEMBL4521271 0.80 MPO (0.40) MPOKDM4ELTA4HTLR8TLR7
SCHEMBL4122428 0.79 MPO (0.39) MPOMGMTKDM4EDHFRTLR8
SCHEMBL4529946 0.79 PIN1 (0.48) MPOMGMTLTA4HDHFRTLR8
SCHEMBL4524522 0.78 MAPT (0.46) MPOMGMTKDM4EDHFR
SCHEMBL4108718 0.77 CDK1 (0.39) MPOKDM4EDHFRTLR8TLR7

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 2962/4885MAOB 456/4885

“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.