SCHEMBL2980677

SCHEMBL2980677

O=C1NCCN1CCNc1ncc(Br)c(-c2nc3ccccc3s2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
IRAK4 Q9NWZ3 11/20 0.40
ILK Q13418 2/20 0.38
BRAF P15056 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
IRAK1 P51617 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
AURKA O14965 1/20 0.35
FLT4 P35916 1/20 0.35
CDK1 P06493 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL5149073 0.84 ILK (0.35) IRAK4ILKAURKAFLT4CDK1
SCHEMBL2986679 0.84 BRAF (0.46) SCN9AIRAK4ILKBRAFADORA2A
SCHEMBL2985538 0.83 SCN9A (0.42) SCN9AIRAK4BRAFADORA2AADORA1
SCHEMBL2984673 0.81 ILK (0.35) IRAK4ILKAURKAFLT4CDK1
SCHEMBL2985221 0.80 CDK1 (0.35) IRAK4ILKCDK1KDR
SCHEMBL2984336 0.79 MEN1 (0.42) SCN9AIRAK4BRAFADORA2AADORA1
SCHEMBL2976413 0.79 CDK1 (0.35) IRAK4ILKCDK1KDR
SCHEMBL2983692 0.78 PRKCQ (0.37) SCN9AIRAK4BRAFADORA2AADORA1
SCHEMBL5147346 0.78 PSMD14 (0.41) IRAK4ILKAURKAFLT4CDK1
SCHEMBL2986555 0.78 SCN9A (0.37) SCN9AIRAK4BRAFADORA2AADORA1

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 SCN9A 4768/4885IRAK4 2705/4885ILK 3067/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 SCN9A 4768/4885IRAK4 2705/4885ILK 3067/4885

“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.