SCHEMBL4519618

SCHEMBL4519618

COCCOc1nc(N)nc2ccc(-c3ccc(O)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.40
TSHR P16473 1/20 0.38
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
MIF P14174 3/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DHFR P00374 2/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
AURKB Q96GD4 1/20 0.35
MTOR P42345 1/20 0.35
AR P10275 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 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
SCHEMBL4516860 0.90 MAPT (0.41) PIK3CGTSHRMEN1NPC1MAPT
SCHEMBL4527664 0.89 TSHR (0.42) PIK3CGTSHRMAPTDHFRPIK3CD
SCHEMBL4526324 0.88 CBFB (0.42) PIK3CGTSHRDHFRPIK3CDPIK3CA
SCHEMBL4520304 0.88 MAP4K4 (0.41) PIK3CGTSHRMEN1NPC1MAPT
SCHEMBL3613491 0.88 SQOR (0.45) PIK3CGTSHRMIFMEN1NPC1
SCHEMBL4534010 0.88 TSHR (0.46) TSHRNPC1MAP4K4
SCHEMBL4528643 0.86 TSHR (0.39) PIK3CGTSHRNPC1AURKBAR
SCHEMBL4533861 0.86 PIK3CG (0.43) PIK3CGESR1ESR2MEN1NPC1
SCHEMBL4527647 0.85 SQOR (0.43) PIK3CGTSHRMIFNPC1MAPT
SCHEMBL4521271 0.85 MPO (0.40) TSHRKMT2AMAP4K4

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 PIK3CG 547/4885TSHR 3042/4885ESR1 4429/4885

“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.