SCHEMBL4513221

SCHEMBL4513221

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
ALOX12 P18054 2/20 0.42
NOS1 P29475 1/20 0.40
MPO P05164 1/20 0.40
DHFR P00374 6/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
ADORA2A P29274 1/20 0.38
HSP90AB1 P08238 1/20 0.37
MAPT P10636 3/20 0.36
MAP4K4 O95819 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
SCHEMBL823714 0.90 MAPT (0.40) TP53ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4122428 0.88 MPO (0.39) RXFP1ALDH1A1KDM4ENOS1MPO
SCHEMBL4533861 0.88 PIK3CG (0.43) ALDH1A1HPGDHSD17B10DHFRNPC1
SCHEMBL4529751 0.88 MAP4K4 (0.44) TP53ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4533771 0.88 MAP4K4 (0.39) RXFP1TP53ALDH1A1MPODHFR
SCHEMBL4525197 0.88 ALDH1A1 (0.52) RXFP1TP53ALDH1A1HPGDHSD17B10
SCHEMBL4534215 0.87 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10KDM4ENOS1
SCHEMBL4526926 0.86 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KDM4EALOX12
SCHEMBL4527664 0.86 TSHR (0.42) ALDH1A1HPGDHSD17B10KDM4EHTT
SCHEMBL4558379 0.86 MAPT (0.42) ALDH1A1HTTDHFRNPC1MAPK1

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 4 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-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 RXFP1 4638/4885TP53 987/4885ALDH1A1 1010/4885

“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.