SCHEMBL4523912

SCHEMBL4523912

CCOc1nc(N)nc2ccc(-c3cnc4ccccc4c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.42
MTOR P42345 10/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
TLR8 Q9NR97 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2A6 P11509 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
PIK3CD O00329 1/20 0.38
AKT1 P31749 1/20 0.38
MAP4K4 O95819 1/20 0.38
BMPR1B O00238 1/20 0.37
PIK3C2G O75747 1/20 0.37
CDKL5 O76039 1/20 0.37
PIM1 P11309 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL3760177 0.85 NPC1 (0.41) PIK3CAALDH1A1TLR8NPC1MAPK1
SCHEMBL4525197 0.84 ALDH1A1 (0.52) ALDH1A1GAATLR8NPC1MAPK1
SCHEMBL4102271 0.81 PIK3CA (0.42) PIK3CAMTORCYP2A6PDGFRBPDGFRA
SCHEMBL4122691 0.80 MAP4K4 (0.55) ALDH1A1TLR8NPC1MAPK1RAB9A
SCHEMBL823753 0.80 MAP4K4 (0.48) ALDH1A1NPC1MAPK1RAB9AMAP4K4
SCHEMBL4533771 0.79 MAP4K4 (0.39) ALDH1A1NPC1MAPK1RAB9AMAP4K4
SCHEMBL823714 0.79 MAPT (0.40) ALDH1A1NPC1MAPK1RAB9AMAP4K4
SCHEMBL4536473 0.79 MAP4K4 (0.49) ALDH1A1GAANPC1MAPK1RAB9A
SCHEMBL4528297 0.78 MAP4K4 (0.49) ALDH1A1NPC1MAPK1RAB9AMAP4K4
SCHEMBL4537635 0.78 MAP4K4 (0.46) MAP4K4

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 2 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

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 PIK3CA 609/4885MTOR 4361/4885ALDH1A1 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.