SCHEMBL3547445

SCHEMBL3547445

CC(C)N1CCC(=O)N(C)c2cnc(Nc3ccc(C(=O)NCC(C)(C)CN(C)C)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.40
BRD4 O60885 5/20 0.40
TAF1 P21675 2/20 0.40
PTK2 Q05397 2/20 0.39
IGF1R P08069 1/20 0.39
PLK4 O00444 2/20 0.38
AURKA O14965 2/20 0.38
LRRK2 Q5S007 2/20 0.38
AURKB Q96GD4 2/20 0.38
AURKC Q9UQB9 2/20 0.38
STK4 Q13043 1/20 0.38
PLK1 P53350 5/20 0.38
MAPK7 Q13164 2/20 0.36
DYRK1A Q13627 1/20 0.36
RAD52 P43351 2/20 0.36
BRDT Q58F21 1/20 0.36

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
SCHEMBL3537776 0.87 PLK1 (0.53) BRD4PTK2IGF1RLRRK2PLK1
SCHEMBL3545085 0.80 PDGFRB (0.51) AURKAAURKBPLK1
SCHEMBL1185962 0.75 IGF1R (0.49) PTK2IGF1RAURKAPLK1MAPK7
SCHEMBL3538331 0.74 MAPK7 (0.66) BRD4PTK2IGF1RLRRK2PLK1
SCHEMBL1203210 0.74 PLK1 (0.70) BRD4PLK4PLK1RAD52BRDT
SCHEMBL1203888 0.74 RAD52 (0.57) RPS6KA3BRD4PTK2IGF1RLRRK2
SCHEMBL3544724 0.74 MAPK7 (0.51) RPS6KA3BRD4PTK2IGF1RLRRK2
SCHEMBL1204277 0.74 PLK1 (0.63) BRD4PLK4PLK1RAD52BRDT
SCHEMBL1202710 0.71 STK4 (0.46) BRD4TAF1PTK2AURKALRRK2
SCHEMBL12880145 0.70 TNK2 (0.44) RPS6KA3PTK2STK4PLK1RAD52

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 RPS6KA3 248/4885BRD4 2662/4885TAF1 2685/4885

“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.