SCHEMBL4102329

SCHEMBL4102329

CN1CCN(C(=O)c2cccc(-c3ccc4nc(N)nc(-c5ccccc5)c4n3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
ADORA2A P29274 6/20 0.57
ADORA1 P30542 5/20 0.57
ATR Q13535 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
KCNH2 Q12809 1/20 0.47
MKNK2 Q9HBH9 3/20 0.47
POLB P06746 1/20 0.46
MKNK1 Q9BUB5 2/20 0.46
EGFR P00533 1/20 0.46
PARP1 P09874 1/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL4106909 0.91 ALDH1A1 (0.57) ALDH1A1MAPTADORA2AADORA1ATR
SCHEMBL4100889 0.86 ADORA2A (0.52) ALDH1A1MAPTADORA2AADORA1ATR
SCHEMBL4112655 0.83 ADORA2A (0.52) ALDH1A1MAPTADORA2AADORA1ATR
SCHEMBL4107341 0.79 GABRG2 (0.47) MAPTADORA2A
SCHEMBL4103462 0.79 AKT1 (0.46) ALDH1A1MAPTADORA2AADORA1KDM4E
SCHEMBL4107243 0.79 MKNK2 (0.54) ALDH1A1ADORA2AADORA1ATRKCNH2
SCHEMBL4112668 0.79 MKNK2 (0.58) ADORA2AADORA1ATRKCNH2MKNK2
SCHEMBL4112706 0.77 HRH4 (0.51) ADORA2AADORA1L3MBTL1KDM4EMTOR
SCHEMBL4097165 0.76 MAP4K4 (0.42) ALDH1A1MAPTADORA2AKDM4EHPGD
SCHEMBL4101917 0.76 NPC1 (0.50) ALDH1A1MAPTL3MBTL1KDM4EHPGD

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-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

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 ALDH1A1 1721/4885MAPT 1752/4885ADORA2A 165/4885

“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.