SCHEMBL4529946

SCHEMBL4529946

Cc1cccc(COc2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.48
MPO P05164 6/20 0.46
DHODH Q02127 3/20 0.42
MGMT P16455 2/20 0.41
DHFR P00374 1/20 0.39
DCPS Q96C86 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
LTA4H P09960 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PIK3CA P42336 1/20 0.37
MAP4K4 O95819 2/20 0.37
IDO1 P14902 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
SCHEMBL4006120 0.87 MPO (0.49) PIN1MPODHODHMGMTDHFR
SCHEMBL4529689 0.85 MPO (0.55) MPOMGMTDHFRDCPSPOLB
SCHEMBL4103595 0.82 LTA4H (0.45) MPODHODHDHFRLTA4HTLR8
SCHEMBL4114510 0.80 MAP4K4 (0.52) PIN1MPOMGMTDCPSMAP4K4
SCHEMBL4122428 0.80 MPO (0.39) MPOMGMTDHFRMAPTTLR8
SCHEMBL4528419 0.79 MPO (0.54) MPOMGMTDHFRLTA4HTLR8
SCHEMBL4530184 0.78 MPO (0.47) MPOMGMTDHFRMAPTTLR8
SCHEMBL4108718 0.78 CDK1 (0.39) MPODHFRMAPTTLR8TLR7
SCHEMBL4105860 0.77 MAP4K4 (0.44) MAP4K4
SCHEMBL4113486 0.77 TLR8 (0.42) PIN1MPODHFRMAPTTLR8

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 PIN1 3457/4885MPO 3990/4885DHODH 60/4885

“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.