SCHEMBL2974396

SCHEMBL2974396

N#CCC(=O)c1ccc(I)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.37
MAPT P10636 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
RECQL P46063 1/20 0.36
GSK3B P49841 4/20 0.35
MCL1 Q07820 2/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 3/20 0.33
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL28933254 0.78 HDAC8 (0.37) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL1426797 0.78 DAO (0.52) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL2267492 0.78 MAPT (0.36) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL1426699 0.78 GSK3B (0.61) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL1426700 0.78 DAO (0.52) MELKMAPTMEN1KMT2AKDM4E
SCHEMBL1426123 0.78 GSK3B (0.61) MELKMAPTMEN1KMT2AKDM4E
SCHEMBL13409520 0.76 GSK3B (0.39) MELKMAPTGSK3BALDH1A1NPC1
SCHEMBL2987114 0.75 GSK3B (0.62) GSK3B
SCHEMBL660893 0.75 POLB (0.46) MELKMAPTMEN1KMT2AGSK3B
SCHEMBL2087852 0.74 YEATS4 (0.46) MAPTMEN1KMT2AKDM4EGAA

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 MELK 282/4885MAPT 1412/4885MEN1 3920/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MELK 282/4885MAPT 1412/4885MEN1 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.