SCHEMBL2980445

SCHEMBL2980445

CC(=O)c1cnc(Sc2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.56
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP47 Q96K76 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
ALOX5 P09917 1/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
ICAM1 P05362 2/20 0.38
SELE P16581 2/20 0.38
CYP1A2 P05177 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
SCHEMBL5168265 0.92 USP7 (0.56) USP7ALDH1A1HPGDHDAC6USP47
SCHEMBL6497988 0.88 HDAC6 (0.49) USP7ALDH1A1HPGDHDAC6RAB9A
SCHEMBL17059814 0.81 EDNRA (0.47) USP7RAB9ASMN1; SMN2NPC1POLB
SCHEMBL17059817 0.80 USP7 (0.49) USP7ALDH1A1HPGDUSP47ALOX5
SCHEMBL6491341 0.80 CDC7 (0.54) ALDH1A1HDAC6RAB9ASMN1; SMN2NPC1
SCHEMBL17059869 0.78 USP7 (0.60) USP7ALDH1A1ALOX5RAB9ASMN1; SMN2
SCHEMBL11589377 0.77 MLYCD (0.54) USP7ALDH1A1HDAC6ALOX5RAB9A
SCHEMBL17059872 0.77 USP7 (0.76) USP7ALDH1A1USP47CCNE1CDK2
SCHEMBL21657200 0.77 USP7 (0.58) USP7ALDH1A1HPGDCCNE1CDK2
SCHEMBL17059811 0.76 USP7 (0.48) USP7ALDH1A1HPGDALOX5RAB9A

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 USP7 4059/4885ALDH1A1 1565/4885HPGD 2389/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 USP7 4059/4885ALDH1A1 1565/4885HPGD 2389/4885

“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.