SCHEMBL4514643

SCHEMBL4514643

CCOc1nc(C)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HPGD P15428 6/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4531773 0.86 SCN9A (0.45) RXFP1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL4531000 0.86 SQOR (0.46) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL4122428 0.85 MPO (0.39) RXFP1NPC1RAB9AALDH1A1MAPT
SCHEMBL4523958 0.82 MAP4K4 (0.46) MAP4K4
SCHEMBL4573278 0.82 MAP4K4 (0.42) RXFP1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL5123850 0.80 MAPT (0.43) SMN1; SMN2HPGDALDH1A1HSD17B10MAPT
SCHEMBL4573181 0.80 MERTK (0.37) MAP4K4SCN9A
SCHEMBL4584588 0.78 MAP4K4 (0.38) GAKDYRK1AMAP4K4
SCHEMBL5112172 0.78 MAPT (0.35) RXFP1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL4573442 0.78 TP53 (0.47) SMN1; SMN2ALDH1A1HSD17B10LMNAMAPT

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 RXFP1 4638/4885SMN1; SMN2 2873/4885NPC1 1302/4885

“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.