SCHEMBL4573372

SCHEMBL4573372

Oc1nc(NCc2cccnc2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47
PDE5A O76074 5/20 0.47
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.44
CYP1A2 P05177 2/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL14131653 0.88 TP53 (0.52) PDE5AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4573281 0.86 MAPT (0.44) KDM4ELMNASMN1; SMN2HSD17B10HTT
SCHEMBL1791755 0.86 PDE5A (0.52) CYP3A4CYP2D6CYP2C19CYP2C9PDE5A
SCHEMBL5108478 0.83 PDE5A (0.48) CYP3A4CYP2D6CYP2C19CYP2C9PDE5A
SCHEMBL5111427 0.83 ALDH1A1 (0.46) CYP3A4CYP2D6CYP2C19CYP2C9PDE5A
SCHEMBL5115678 0.83 PDE5A (0.44) CYP3A4CYP2D6CYP2C19CYP2C9PDE5A
SCHEMBL5116414 0.77 TP53 (0.37) SCN9AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4573208 0.77 PTGS2 (0.48)
SCHEMBL14140183 0.74 CTNNB1 (0.40) GAA
SCHEMBL14140346 0.73 CTNNB1 (0.39)

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP CYP3A4 23/4885CYP2D6 13/4885CYP2C19 75/4885

“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.