SCHEMBL2982157

SCHEMBL2982157

O=C1NCCN1CCNc1ncc(-c2ccccc2F)c(-c2cccs2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
CYP1A2 P05177 11/20 0.41
MEN1 O00255 10/20 0.41
USP2 O75604 10/20 0.41
CASP1 P29466 10/20 0.41
CASP7 P55210 10/20 0.41
KMT2A Q03164 10/20 0.41
CYP3A4 P08684 10/20 0.41
ALDH1A1 P00352 9/20 0.41
HSD17B10 Q99714 8/20 0.41
HIF1A Q16665 8/20 0.41
CYP2C9 P11712 7/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
CYP2D6 P10635 7/20 0.40
LMNA P02545 5/20 0.40
CLK4 Q9HAZ1 4/20 0.40
HBB P68871 3/20 0.40
TSHR P16473 3/20 0.40
BRCA1 P38398 2/20 0.40

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
SCHEMBL2982143 0.89 BRAF (0.44) SCN9ACYP1A2MEN1USP2CASP1
SCHEMBL2979980 0.89 SCN9A (0.44) SCN9ACYP1A2MEN1USP2CASP1
SCHEMBL2971703 0.88 ADORA1 (0.49) SCN9ACYP1A2MEN1USP2CASP1
SCHEMBL2989049 0.88 SCN9A (0.52) SCN9ACYP1A2MEN1USP2CASP1
SCHEMBL2975990 0.87 SCN9A (0.46) SCN9ACYP1A2MEN1USP2CASP1
SCHEMBL2986078 0.86 ADORA1 (0.56) SCN9ACYP1A2MEN1USP2CASP1
SCHEMBL2975800 0.85 MEN1 (0.42) SCN9ACYP1A2MEN1USP2CASP1
SCHEMBL2983868 0.85 SCN9A (0.43) SCN9ACYP1A2MEN1USP2CASP1
SCHEMBL2980896 0.85 ADORA1 (0.48) SCN9ACYP1A2MEN1USP2CASP1
SCHEMBL2978244 0.84 ADORA1 (0.46) SCN9ACYP1A2MEN1USP2CASP1

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 4768/4885CYP1A2 4124/4885MEN1 3920/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 SCN9A 4768/4885CYP1A2 4124/4885MEN1 3920/4885

“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.