SCHEMBL4100889

SCHEMBL4100889

CN1CCN(C(=O)c2cccc(-c3ccc4nc(N)nc(Cc5ccccc5)c4n3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.52
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ATR Q13535 1/20 0.48
PARP1 P09874 4/20 0.47
ADORA1 P30542 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MKNK2 Q9HBH9 3/20 0.43
MKNK1 Q9BUB5 2/20 0.43
EGFR P00533 1/20 0.43
ERN1 O75460 1/20 0.43
POLB P06746 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL4106998 0.91 POLB (0.49) ADORA2AALDH1A1MAPTATRADORA1
SCHEMBL4112655 0.87 ADORA2A (0.52) ADORA2AALDH1A1MAPTATRPARP1
SCHEMBL4102329 0.86 ALDH1A1 (0.59) ADORA2AALDH1A1MAPTATRPARP1
SCHEMBL4108365 0.82 MAP4K4 (0.44) ATRPARP1MAP4K4
SCHEMBL4100914 0.81 DHFR (0.54) ERN1MAP4K4
SCHEMBL4107266 0.81 AKT1 (0.43) MKNK2MKNK1ERN1MAP4K4
SCHEMBL4097558 0.80 MKNK2 (0.54) ADORA2AATRADORA1MKNK2MKNK1
SCHEMBL4106229 0.80 MKNK2 (0.51) ALDH1A1ATRMKNK2MKNK1
SCHEMBL4107709 0.79 HPGD (0.48) ALDH1A1MAPTPARP1MAP4K4
SCHEMBL4107011 0.79 NPC1 (0.47) ALDH1A1MAPT

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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD ADORA2A 165/4885ALDH1A1 1721/4885MAPT 1752/4885

“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.