SCHEMBL3538331

SCHEMBL3538331

COc1cc(C(=O)NCCN(C)C)ccc1Nc1ncc2c(n1)N(C(C)C)CCC(=O)N2C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.66
PLK1 P53350 11/20 0.65
BRD4 O60885 8/20 0.65
BRDT Q58F21 4/20 0.65
PTK2 Q05397 1/20 0.56
RAD52 P43351 2/20 0.56
PLK3 Q9H4B4 1/20 0.55
PLK2 Q9NYY3 1/20 0.55
IGF1R P08069 3/20 0.53
DCLK1 O15075 1/20 0.50
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL3540452 0.89 RAD52 (0.59) MAPK7PLK1BRD4BRDTPTK2
SCHEMBL3537776 0.89 PLK1 (0.53) MAPK7PLK1BRD4BRDTPTK2
SCHEMBL3541388 0.88 PLK1 (0.58) MAPK7PLK1BRD4BRDTRAD52
SCHEMBL3546335 0.88 PLK1 (0.57) MAPK7PLK1BRD4BRDTPTK2
SCHEMBL14313607 0.88 PLK1 (0.61) MAPK7PLK1BRD4BRDTPTK2
SCHEMBL3539045 0.88 MAPK7 (0.65) MAPK7PLK1BRD4BRDTPTK2
SCHEMBL3549824 0.86 RAD52 (0.76) MAPK7PLK1BRD4BRDTPTK2
SCHEMBL3538104 0.86 PLK1 (0.60) MAPK7PLK1BRD4BRDTPTK2
SCHEMBL1203486 0.85 PLK1 (0.77) MAPK7PLK1BRD4BRDTPTK2
SCHEMBL3539864 0.83 MAPK7 (0.60) MAPK7PLK1BRD4BRDTPTK2

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 MAPK7 1238/4885PLK1 847/4885BRD4 2662/4885

“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.