SCHEMBL4529758

SCHEMBL4529758

CCOc1nc(N)nc2ccc(-c3cc4ccccc4s3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
APP P05067 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DCK P27707 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
GAA P10253 1/20 0.36
FYN P06241 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL3760019 0.83 NOS1 (0.44) KDM1AAPPCYP19A1CYP11B1CYP11B2
SCHEMBL4533141 0.79 KDM4E (0.46) ALDH1A1NPC1CYP3A4HSD17B10RAB9A
SCHEMBL4519986 0.79 KDM4E (0.36) KDM1AALDH1A1NPC1TP53CYP3A4
SCHEMBL4525197 0.78 ALDH1A1 (0.52) ALDH1A1NPC1TP53TSHRHSD17B10
SCHEMBL4523912 0.76 PIK3CA (0.42) ALDH1A1NPC1MAPK1RAB9ATRPV3
SCHEMBL4521264 0.76 MAPK8 (0.37) KDM1AALDH1A1TP53CYP3A4TSHR
SCHEMBL11888736 0.75 GRM4 (0.50) APPCYP19A1CYP11B1ALDH1A1NPC1
SCHEMBL4534714 0.75 ADORA2A (0.42) ALDH1A1NPC1TP53MAPK1RAB9A
SCHEMBL4512860 0.75 DHFR (0.50) ALDH1A1GAATLR8DHFR
SCHEMBL823750 0.74 ALDH1A1 (0.34) ALDH1A1NPC1TP53CYP3A4TSHR

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 KDM1A 3916/4885APP 4145/4885CYP19A1 3761/4885

“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.