SCHEMBL3528525

SCHEMBL3528525

Nc1cc(Nc2cccc(Oc3ccccc3)c2)c2nc([C@H]3CC[C@H](N)CC3)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SRC P12931 1/20 0.36
AKR1C3 P42330 1/20 0.35
SYK P43405 2/20 0.35
KDR P35968 2/20 0.34
PDE4B Q07343 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
P2RY2 P41231 1/20 0.33
P2RY6 Q15077 1/20 0.33
BCDIN3D Q7Z5W3 1/20 0.33
CDK1 P06493 1/20 0.33
BTK Q06187 3/20 0.32
PRKAA2 P54646 1/20 0.32
ALOX5 P09917 1/20 0.32
HPGD P15428 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL3012729 0.92 SCN5A (0.38) SRCSYKBTK
SCHEMBL3527290 0.92 SCN5A (0.38) SRCSYKBTK
SCHEMBL3010260 0.90 PDE4B (0.44) PDE4BCDK1ABCB1ABCG2
SCHEMBL3023110 0.89 SRC (0.43) SRCMAPKAPK2CDK1
SCHEMBL3018102 0.89 SRC (0.43) SRCMAPKAPK2CDK1
SCHEMBL3006895 0.89 SRC (0.43) SRCMAPKAPK2CDK1
SCHEMBL3028254 0.89 IGF1R (0.36) SRC
SCHEMBL3531140 0.88 MAPKAPK2 (0.47) SIRT2SYKMAPKAPK2ALOX5
SCHEMBL3525554 0.88 ROCK2 (0.36) SIRT2SRCSYKPDE4BMAPKAPK2
SCHEMBL3024391 0.87 MAPKAPK2 (0.46) SIRT2SYKPDE4BMAPKAPK2CDK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP claimed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US claimed
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (2 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 SIRT2 620/4885SIRT1 1136/4885SRC 114/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 SIRT2 1055/4885SIRT1 1858/4885SRC 138/4885

“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.