SCHEMBL2983283

SCHEMBL2983283

COC(C)(OC)c1sccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PRKCZ Q05513 1/20 0.40
BCAT2 O15382 1/20 0.39
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
PDPK1 O15530 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
CCR4 P51679 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
RORB Q92753 1/20 0.31
TDO2 P48775 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
SCHEMBL23618659 0.81 BCAT2 (0.43) PTGS2MEN1KMT2AALDH1A1LMNA
SCHEMBL4083662 0.73 BCAT2 (0.43) PTGS2ALDH1A1BCAT2PDPK1RORB
SCHEMBL11331204 0.69 BCAT2 (0.43) PTGS2MEN1KMT2AALDH1A1LMNA
SCHEMBL1825367 0.66 BCAT2 (0.47) PTGS2MEN1KMT2AALDH1A1LMNA
SCHEMBL544047 0.66 BCAT2 (0.52) PTGS2MEN1KMT2AALDH1A1LMNA
SCHEMBL920653 0.66 BCAT2 (0.47) PTGS2MEN1KMT2AALDH1A1LMNA
SCHEMBL14809534 0.65 BCAT2 (0.46) PTGS2MEN1KMT2AALDH1A1LMNA
SCHEMBL3358969 0.63 BCAT2 (0.48) PTGS2ALDH1A1HPGDBCAT2PDPK1
SCHEMBL1681771 0.63 PTGS2 (0.65) PTGS2BCAT2
SCHEMBL11480798 0.63 BCAT2 (0.53) MEN1KMT2AALDH1A1LMNAHPGD

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 PTGS2 2029/4885MEN1 3920/4885KMT2A 1112/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 PTGS2 2029/4885MEN1 3920/4885KMT2A 1112/4885

“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.