SCHEMBL4528265

SCHEMBL4528265

CC(=O)Nc1nc(-c2nc[nH]n2)c2nc(-c3ccccc3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.47
ADORA1 P30542 4/20 0.47
ADORA2A P29274 1/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C19 P33261 1/20 0.39
APP P05067 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3931835 0.90 ADORA3 (0.41) ADORA3ADORA1ADORA2AGAAMEN1
SCHEMBL3920025 0.85 ABL1 (0.42) ADORA3ADORA1GAAMEN1KMT2A
SCHEMBL3925325 0.84 ADORA3 (0.48) ADORA3GAAALOX15MAPK1MEN1
SCHEMBL3924803 0.83 MAPK14 (0.39) ADORA3GAAMEN1KMT2AKDM4E
SCHEMBL4108181 0.83 ADORA3 (0.41) ADORA3LMNAALOX15TSHRMAPK1
SCHEMBL3921447 0.82 ADORA3 (0.56) ADORA3ADORA1ADORA2AGAATSHR
SCHEMBL3924817 0.82 KMO (0.42) ADORA3ALOX15MAPK1MEN1KMT2A
SCHEMBL4101844 0.80 RORC (0.43) ADORA3GAALMNAMEN1KMT2A
SCHEMBL4102669 0.80 PIK3CG (0.36) ADORA3CYP2C19POLBMAPK14PIK3CA
SCHEMBL3338169 0.75 POLB (0.50) ADORA3GAALMNATSHRKMT2A

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 5 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-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
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO 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 ADORA3 216/4885ADORA1 501/4885ADORA2A 252/4885

“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.