SCHEMBL4102137

SCHEMBL4102137

CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4nc(N)nc(-c5ccccc5)c4n3)ccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 3/20 0.54
SKP1 P63208 3/20 0.54
SKP2 Q13309 3/20 0.54
MAP4K4 O95819 1/20 0.48
GBA1 P04062 1/20 0.44
KIT P10721 2/20 0.43
PIK3CA P42336 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
ACHE P22303 1/20 0.42
LRRK2 Q5S007 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
PTPN11 Q06124 1/20 0.41
TBK1 Q9UHD2 2/20 0.40
ADORA2A P29274 1/20 0.40
USP30 Q70CQ3 1/20 0.39
ITGB2 P05107 1/20 0.39

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
SCHEMBL4107002 0.87 ACHE (0.46) CKS1BSKP1SKP2MAP4K4GBA1
SCHEMBL4112371 0.84 MAP4K4 (0.47) CKS1BSKP1SKP2MAP4K4PIK3CA
SCHEMBL4112706 0.83 HRH4 (0.51) ADORA2A
SCHEMBL3443191 0.80 CKS1B (0.64) CKS1BSKP1SKP2MAP4K4GBA1
SCHEMBL4101654 0.79 ATR (0.53)
SCHEMBL1704599 0.79 CKS1B (0.51) CKS1BSKP1SKP2MAP4K4KIT
SCHEMBL4349679 0.77 MAP4K4 (0.48) CKS1BSKP1SKP2MAP4K4GBA1
SCHEMBL4358494 0.76 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4GBA1
SCHEMBL1705150 0.76 CKS1B (0.55) CKS1BSKP1SKP2MAP4K4GBA1
SCHEMBL4097165 0.75 MAP4K4 (0.42) MAP4K4ABCB1ABCG2ADORA2A

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 CKS1B 510/4885SKP1 1845/4885SKP2 1587/4885

“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.