SCHEMBL4534037

SCHEMBL4534037

CCOc1nc(N)nc2ccc(-c3cc(F)ccc3OC)nc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.38
CHRNA7 P36544 1/20 0.37
NAMPT P43490 2/20 0.36
HSP90AA1 P07900 2/20 0.36
DHFR P00374 3/20 0.35
ADORA2A P29274 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GRM7 Q14831 1/20 0.35
PKM P14618 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
SCHEMBL4530939 0.87 HSP90AA1 (0.35) HSP90AA1DHFRHSP90AB1
SCHEMBL4536401 0.86 HSP90AA1 (0.47) CHRNA7HSP90AA1DHFRADORA2AHSP90AB1
SCHEMBL4523975 0.85 MAPT (0.37) AMY1ACHRNA7DHFRADORA2A
SCHEMBL4519931 0.84 MAPT (0.42) HSP90AA1DHFRHSP90AB1
SCHEMBL4525891 0.84 TLR8 (0.40) HSP90AA1DHFRHSP90AB1
SCHEMBL3761952 0.83 NOS1 (0.45) CHRNA7DHFR
SCHEMBL4526296 0.82 ALDH1A1 (0.47)
SCHEMBL4122428 0.80 MPO (0.39) DHFRADORA2A
SCHEMBL4537635 0.79 MAP4K4 (0.46)
SCHEMBL4512860 0.79 DHFR (0.50) HSP90AA1DHFRADORA2A

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-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
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 AMY1A 3635/4885CHRNA7 2904/4885NAMPT 236/4885

“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.