SCHEMBL4531773

SCHEMBL4531773

CCOc1nc(OCC)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
GAK O14976 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MAP4K4 O95819 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SGK1 O00141 1/20 0.34
MAPT P10636 3/20 0.34
TOP1 P11387 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL4514643 0.86 RXFP1 (0.38) SCN9AGAKRXFP1MAP4K4ALDH1A1
SCHEMBL4122428 0.85 MPO (0.39) SCN9AGAKRXFP1MAP4K4ALDH1A1
SCHEMBL4526713 0.83 SQOR (0.46) SCN9AGAKMAP4K4ALDH1A1HPGD
SCHEMBL4523958 0.82 MAP4K4 (0.46) MAP4K4
SCHEMBL4573278 0.82 MAP4K4 (0.42) GAKRXFP1MAP4K4ALDH1A1HPGD
SCHEMBL5123850 0.80 MAPT (0.43) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4573181 0.80 MERTK (0.37) SCN9AMAP4K4TLR7MAPK14
SCHEMBL4584588 0.78 MAP4K4 (0.38) GAKMAP4K4
SCHEMBL5112172 0.78 MAPT (0.35) GAKRXFP1MAP4K4ALDH1A1SMN1; SMN2
SCHEMBL5123059 0.78 KCNH3 (0.46) MAP4K4ALDH1A1HPGDMEN1KMT2A

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 9 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-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
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
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 SCN9A 4680/4885GAK 1134/4885RXFP1 4638/4885

“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.