SCHEMBL4528643

SCHEMBL4528643

COCCOc1nc(N)nc2ccc(-c3ccncc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
BRAF P15056 1/20 0.36
PIK3CA P42336 2/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
NPC1 O15118 2/20 0.35
MAP4K4 O95819 5/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PDPK1 O15530 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
LATS1 O95835 1/20 0.33

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
SCHEMBL4534010 0.89 TSHR (0.46) TSHRNPC1MAP4K4TLR8TLR7
SCHEMBL4516860 0.89 MAPT (0.41) TSHRPIK3CANPC1MAP4K4TLR8
SCHEMBL4527664 0.88 TSHR (0.42) TSHRPIK3CAMAP4K4TLR8TLR7
SCHEMBL3613491 0.86 SQOR (0.45) TSHRPIK3CANPC1MAP4K4TLR8
SCHEMBL4520304 0.86 MAP4K4 (0.41) TSHRPIK3CANPC1MAP4K4CYP1A2
SCHEMBL4519618 0.86 PIK3CG (0.40) TSHRPIK3CANPC1MAP4K4AR
SCHEMBL4521271 0.86 MPO (0.40) TSHRMAP4K4TLR8TLR7
SCHEMBL4526926 0.86 ALDH1A1 (0.43) NPC1MAP4K4CYP1A2CYP3A4AR
SCHEMBL4526324 0.84 CBFB (0.42) TSHRPIK3CAMAP4K4TLR8TLR7
SCHEMBL4527647 0.83 SQOR (0.43) TSHRPIK3CANPC1MAP4K4RAB9A

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 TSHR 3042/4885BRAF 2742/4885PIK3CA 609/4885

“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.