SCHEMBL3537776

SCHEMBL3537776

COc1cc(C(=O)NCC(C)(C)CN(C)C)ccc1Nc1ncc2c(n1)N(C(C)C)CCC(=O)N2C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.53
IGF1R P08069 1/20 0.53
RAD52 P43351 2/20 0.52
MAPK7 Q13164 2/20 0.52
BRD4 O60885 10/20 0.52
BRDT Q58F21 4/20 0.52
PTK2 Q05397 1/20 0.48
DCLK1 O15075 2/20 0.46
LRRK2 Q5S007 2/20 0.46

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
SCHEMBL3538331 0.89 MAPK7 (0.66) PLK1IGF1RRAD52MAPK7BRD4
SCHEMBL1203888 0.88 RAD52 (0.57) PLK1IGF1RRAD52MAPK7BRD4
SCHEMBL1203210 0.88 PLK1 (0.70) PLK1RAD52BRD4BRDT
SCHEMBL3544724 0.88 MAPK7 (0.51) PLK1IGF1RMAPK7BRD4BRDT
SCHEMBL3547445 0.87 RPS6KA3 (0.40) PLK1IGF1RRAD52MAPK7BRD4
SCHEMBL14313607 0.85 PLK1 (0.61) PLK1RAD52MAPK7BRD4BRDT
SCHEMBL3540452 0.84 RAD52 (0.59) PLK1IGF1RRAD52MAPK7BRD4
SCHEMBL3538104 0.84 PLK1 (0.60) PLK1RAD52MAPK7BRD4BRDT
SCHEMBL1204277 0.83 PLK1 (0.63) PLK1RAD52BRD4BRDT
SCHEMBL3541388 0.82 PLK1 (0.58) PLK1IGF1RRAD52MAPK7BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US 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 PLK1 847/4885IGF1R 3217/4885RAD52 4730/4885

“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.