SCHEMBL2984673

SCHEMBL2984673

CC1(C)CNC(=O)N1CCNc1ncc(Br)c(-c2nc3ccccc3s2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ILK Q13418 6/20 0.35
IRAK4 Q9NWZ3 8/20 0.34
AURKA O14965 1/20 0.34
FLT4 P35916 1/20 0.34
CDK1 P06493 1/20 0.34
KDR P35968 1/20 0.34
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL2976413 0.86 CDK1 (0.35) ILKIRAK4CDK1KDRMGLL
SCHEMBL5149073 0.85 ILK (0.35) ILKIRAK4AURKAFLT4CDK1
SCHEMBL2982366 0.84 MERTK (0.34)
SCHEMBL5147346 0.81 PSMD14 (0.41) ILKIRAK4AURKAFLT4CDK1
SCHEMBL2980677 0.81 SCN9A (0.45) ILKIRAK4AURKAFLT4CDK1
SCHEMBL2985221 0.79 CDK1 (0.35) ILKIRAK4CDK1KDRMGLL
SCHEMBL2988289 0.79 GSK3B (0.30)
SCHEMBL2979975 0.77 CDC7 (0.31) KDR
SCHEMBL5147458 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5149156 0.69 MERTK (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 ILK 3067/4885IRAK4 2705/4885AURKA 71/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ILK 3067/4885IRAK4 2705/4885AURKA 71/4885

“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.