SCHEMBL4529689

SCHEMBL4529689

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.55
MGMT P16455 3/20 0.51
DHFR P00374 2/20 0.43
TPO P07202 1/20 0.40
CYP3A4 P08684 1/20 0.40
EPX P11678 1/20 0.40
MAOB P27338 3/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
DCPS Q96C86 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 0.94 MPO (0.49) MPOMGMTDHFRTPOCYP3A4
SCHEMBL4528419 0.92 MPO (0.54) MPOMGMTDHFRMAOBTLR8
SCHEMBL4530184 0.91 MPO (0.47) MPOMGMTDHFRCYP3A4MAOB
SCHEMBL4122428 0.86 MPO (0.39) MPOMGMTDHFRNPC1RAB9A
SCHEMBL4529946 0.85 PIN1 (0.48) MPOMGMTDHFRDCPSPOLB
SCHEMBL4524522 0.85 MAPT (0.46) MPOMGMTDHFRMEN1RAB9A
SCHEMBL4108718 0.84 CDK1 (0.39) MPODHFRMEN1NPC1RAB9A
SCHEMBL3604655 0.84 MPO (0.38) MPOMGMTDHFRMEN1RAB9A
SCHEMBL4526222 0.84 KDM4E (0.44) MPOMGMTDHFRRAB9AMAPT
SCHEMBL4529030 0.83 MPO (0.52) MPOMGMTDHFRDCPSRAB9A

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 3 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-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 MPO 3990/4885MGMT 2962/4885DHFR 13/4885

“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.