SCHEMBL4529030

SCHEMBL4529030

Nc1nc(OCc2ccccc2Cl)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.52
DCPS Q96C86 3/20 0.42
CSF1R P07333 1/20 0.40
MAP4K4 O95819 1/20 0.38
DHFR P00374 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MGMT P16455 2/20 0.36
ADORA2A P29274 1/20 0.36
PIK3CG P48736 1/20 0.36
POLB P06746 1/20 0.35
SCN9A Q15858 1/20 0.35

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 0.84 MPO (0.49) MPODCPSDHFRMGMTADORA2A
SCHEMBL4529689 0.83 MPO (0.55) MPODCPSDHFRSMN1; SMN2KDM4E
SCHEMBL4095553 0.81 TP53 (0.44) MPODCPSMAP4K4DHFRSMN1; SMN2
SCHEMBL4122428 0.79 MPO (0.39) MPOMAP4K4DHFRKDM4ERAB9A
SCHEMBL3603371 0.78 MAOB (0.48) MPOMAP4K4DHFRKDM4EMGMT
SCHEMBL4524522 0.78 MAPT (0.46) MPOMAP4K4DHFRKDM4ERAB9A
SCHEMBL4108718 0.77 CDK1 (0.39) MPOMAP4K4DHFRKDM4ERAB9A
SCHEMBL3604655 0.77 MPO (0.38) MPOMAP4K4DHFRKDM4ERAB9A
SCHEMBL4526222 0.77 KDM4E (0.44) MPOMAP4K4DHFRKDM4ERAB9A
SCHEMBL4529946 0.77 PIN1 (0.48) MPODCPSMAP4K4DHFRMAPT

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 5 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
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 3990/4885DCPS 257/4885CSF1R 4485/4885

“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.