SCHEMBL3538834

SCHEMBL3538834

COc1ccc(N2CCC(N(C)C)C2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.47
INSR P06213 2/20 0.45
KDR P35968 2/20 0.45
AXL P30530 1/20 0.45
DPP4 P27487 8/20 0.44
SUV39H2 Q9H5I1 2/20 0.42
IGF1R P08069 1/20 0.42
ALK Q9UM73 1/20 0.42
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
MCHR1 Q99705 3/20 0.40
MAP4K4 O95819 1/20 0.39
ZAP70 P43403 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
SCHEMBL24603026 0.92 SUV39H2 (0.45) NTSR1INSRDPP4SUV39H2IGF1R
SCHEMBL14240636 0.89 NTSR1 (0.47) NTSR1INSRKDRAXLDPP4
SCHEMBL520746 0.89 NTSR1 (0.47) NTSR1INSRKDRAXLDPP4
SCHEMBL1911870 0.85 DPP4 (0.49) NTSR1INSRKDRAXLDPP4
SCHEMBL13849340 0.85 DPP4 (0.49) NTSR1INSRKDRAXLDPP4
SCHEMBL29276789 0.84 KDR (0.43) NTSR1INSRKDRAXLPDGFRB
SCHEMBL29276828 0.84 KDR (0.43) NTSR1INSRKDRAXLPDGFRB
SCHEMBL29276792 0.84 KDR (0.43) NTSR1INSRKDRAXLPDGFRB
SCHEMBL12564068 0.82 DPP4 (0.49) NTSR1INSRKDRAXLDPP4
SCHEMBL12564521 0.82 DPP4 (0.49) NTSR1INSRKDRAXLDPP4

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 NTSR1 1274/4885INSR 2268/4885KDR 3815/4885

“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.