SCHEMBL2983353

SCHEMBL2983353

O=C1NCCN1CCNc1ncc(-c2ccc(Oc3ccccc3)cc2)c(-c2cccs2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.55
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
USP2 O75604 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 4/20 0.40
CASP1 P29466 4/20 0.40
CASP7 P55210 4/20 0.40
HIF1A Q16665 4/20 0.40
HSD17B10 Q99714 4/20 0.40
CYP2C9 P11712 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
IRAK1 P51617 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
BTK Q06187 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2971703 0.92 ADORA1 (0.49) SCN9AADORA1ADORA2AUSP2ALDH1A1
SCHEMBL2972249 0.91 USP2 (0.47) SCN9AADORA1ADORA2AUSP2ALDH1A1
SCHEMBL2986078 0.89 ADORA1 (0.56) SCN9AADORA1ADORA2AUSP2ALDH1A1
SCHEMBL2987393 0.88 SCN9A (0.45) SCN9AADORA1ADORA2AUSP2ALDH1A1
SCHEMBL2989049 0.88 SCN9A (0.52) SCN9AADORA1ADORA2AUSP2ALDH1A1
SCHEMBL2982038 0.88 ADORA1 (0.47) SCN9AADORA1ADORA2AUSP2ALDH1A1
SCHEMBL2977453 0.88 ADORA1 (0.47) SCN9AADORA1ADORA2AUSP2ALDH1A1
SCHEMBL2977603 0.86 ADORA1 (0.46) SCN9AADORA1ADORA2AUSP2ALDH1A1
SCHEMBL2978244 0.86 ADORA1 (0.46) SCN9AADORA1ADORA2AUSP2ALDH1A1
SCHEMBL2984023 0.86 IRAK1 (0.49) SCN9AADORA1ADORA2AUSP2ALDH1A1

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 9 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
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN 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
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN 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 4768/4885ADORA1 1406/4885ADORA2A 989/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 SCN9A 4768/4885ADORA1 1406/4885ADORA2A 989/4885

“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.