SCHEMBL3083714

SCHEMBL3083714

O=Cc1nc2ccccn2c1-c1ccnc(N2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.52
GAA P10253 2/20 0.48
SMG1 Q96Q15 8/20 0.45
LRRK2 Q5S007 2/20 0.45
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
PIK3CA P42336 1/20 0.41
CDK1 P06493 3/20 0.40
CDK2 P24941 3/20 0.40
MTOR P42345 3/20 0.39
PIK3CD O00329 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3080481 0.84 PRKDC (0.50) PRKDCGAA
SCHEMBL21217063 0.84 PRKDC (0.52) PRKDCGAASMG1LRRK2CSNK1D
SCHEMBL3080598 0.81 PRKDC (0.49) PRKDCGAASMG1LRRK2CSNK1D
SCHEMBL3081756 0.77 PIK3CA (0.57) PRKDCCSNK1DCSNK1EPIK3CAMAPT
SCHEMBL3082054 0.74 USP7 (0.41) GAACSNK1DCSNK1ECDK2MAPT
SCHEMBL3084111 0.74 HSP90AA1 (0.44) GAAMAPTSMN1; SMN2HTT
SCHEMBL3081815 0.73 CNR2 (0.47)
SCHEMBL21208130 0.72 CDK2 (0.48) GAACDK2MAPTSMN1; SMN2HTT
SCHEMBL28570789 0.72 HSP90AA1 (0.47) GAAMAPTSMN1; SMN2HTT
SCHEMBL3080789 0.71 FYN (0.48) MAPT

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 196/4885SMG1 2757/4885

“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.