SCHEMBL4096378

SCHEMBL4096378

CN1CCN(c2ccc(-c3ccc4nc(N)nc(-c5ccccc5)c4n3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.53
FYN P06241 1/20 0.49
HRH4 Q9H3N8 5/20 0.49
HTR3A P46098 1/20 0.49
MAP4K1 Q92918 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
TNKS O95271 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
MET P08581 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL4110029 0.88 ATR (0.53) ATRHDAC3HDAC2
SCHEMBL4112706 0.84 HRH4 (0.51) HRH4HTR3AMTORMETADORA2A
SCHEMBL4107251 0.84 ATR (0.46) ATRFYNHRH4HTR3ATNKS
SCHEMBL4095539 0.81 KMT2A (0.47)
SCHEMBL4111976 0.80 DHFR (0.47) ATRHRH4HDAC2PIK3CAMTOR
SCHEMBL4106909 0.78 ALDH1A1 (0.57) ATRMAP4K1ADORA2AADORA1
SCHEMBL4106881 0.78 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL4107032 0.77 ADORA2A (0.44) ADORA2AADORA1
SCHEMBL4113727 0.76 MAP4K4 (0.46) ADORA2AADORA1
SCHEMBL4113843 0.76 ADORA2A (0.44) ADORA2AADORA1

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 ATR 3290/4885FYN 2675/4885HRH4 1129/4885

“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.