SCHEMBL2980845

SCHEMBL2980845

CC(=O)c1sccc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.68
RXFP1 Q9HBX9 4/20 0.51
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RORB Q92753 3/20 0.47
PRNP P04156 1/20 0.46
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL9121778 0.84 BCAT2 (0.72) BCAT2RXFP1ALDH1A1TSHRL3MBTL1
SCHEMBL1670982 0.84 BCAT2 (0.72) BCAT2RXFP1ALDH1A1TSHRL3MBTL1
SCHEMBL5163642 0.84 POLB (0.57) BCAT2RXFP1ALDH1A1KMT2AMEN1
SCHEMBL5163646 0.84 POLB (0.57) BCAT2RXFP1ALDH1A1KMT2AMEN1
SCHEMBL14811722 0.81 BCAT2 (0.46) BCAT2RXFP1ALDH1A1TSHRL3MBTL1
SCHEMBL4445671 0.81 BCAT2 (1.00) BCAT2RXFP1ALDH1A1TSHRL3MBTL1
SCHEMBL27688626 0.80 BCAT2 (0.62) BCAT2RXFP1ALDH1A1TSHRL3MBTL1
SCHEMBL2975046 0.80 BACE1 (0.50) BCAT2ALDH1A1NPSR1MAPK10KMT2A
SCHEMBL30952652 0.80 BCAT2 (0.62) BCAT2RXFP1ALDH1A1TSHRL3MBTL1
SCHEMBL6229196 0.80 GABRA1 (0.67) BCAT2RXFP1ALDH1A1L3MBTL1PPARG

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 8 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
US-5962490-A Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-05 US 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 BCAT2 894/4885RXFP1 4799/4885ALDH1A1 1565/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BCAT2 894/4885RXFP1 4799/4885ALDH1A1 1565/4885

“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.