SCHEMBL4511575

SCHEMBL4511575

CCOc1nc(N)nc2ccc(-c3ccc(OCc4ccccc4)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
CYP3A4 P08684 2/20 0.43
MPO P05164 1/20 0.43
TPO P07202 1/20 0.43
EPX P11678 1/20 0.43
MGMT P16455 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 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
SCHEMBL4525197 0.87 ALDH1A1 (0.52) GAARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4534215 0.83 ALDH1A1 (0.47) GAARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4006120 0.83 MPO (0.49) CYP3A4MPOTPOEPXMGMT
SCHEMBL4530985 0.82 DCPS (0.46) CYP3A4MPOTPOEPXMGMT
SCHEMBL4533861 0.82 PIK3CG (0.43) RAB9ANPC1MEN1POLBKMT2A
SCHEMBL823714 0.82 MAPT (0.40) CYP3A4RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4513221 0.81 RXFP1 (0.43) MPORAB9ANPC1SMN1; SMN2POLB
SCHEMBL4122428 0.80 MPO (0.39) MPOMGMTRAB9ANPC1MAPT
SCHEMBL4529751 0.80 MAP4K4 (0.44) CYP3A4RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4536355 0.79 TLR8 (0.40) GAARAB9ANPC1SMN1; SMN2MEN1

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 2 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

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 XDH 26/4885ENPP3 123/4885ENPP1 203/4885

“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.