SCHEMBL3080481

SCHEMBL3080481

O=Cc1nc2ccccn2c1-c1ccc(N2CCOCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.50
GAA P10253 1/20 0.49
CNR2 P34972 6/20 0.47
ERN1 O75460 2/20 0.46
ADK P55263 1/20 0.43
ATR Q13535 2/20 0.43
JAK1 P23458 1/20 0.41

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
SCHEMBL3081815 0.90 CNR2 (0.47) CNR2JAK1
SCHEMBL3080789 0.87 FYN (0.48) ATR
SCHEMBL3083714 0.84 PRKDC (0.52) PRKDCGAA
SCHEMBL3084803 0.80 CNR2 (0.50) PRKDCCNR2ADKATRJAK1
SCHEMBL3084701 0.79 MCHR1 (0.47) ATR
SCHEMBL3090574 0.76 KDM4E (0.48) PRKDCCNR2ATR
SCHEMBL3089794 0.74 USP7 (0.44) GAAADK
SCHEMBL5384466 0.74 ALDH1A1 (0.41) GAA
SCHEMBL28570789 0.73 HSP90AA1 (0.47) GAA
SCHEMBL3239421 0.72 CNR2 (0.66) CNR2ERN1ATR

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-20100227880-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-09-09 US disclosed
EP-1984375-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-10-29 EP disclosed
WO-2007087548-A9 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-09-27 WO disclosed
WO-2007087548-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 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-20100227880-A1 CHEMICAL COMPOUNDS CYP3A5, SLC10A1, ABCB11 PRKDC 4406/4885GAA 196/4885CNR2 589/4885

“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.