SCHEMBL20113

SCHEMBL20113

Nc1c(Br)c(C2CCC(O)(C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.47
CCNA2 P20248 10/20 0.47
CDK2 P24941 10/20 0.47
CCNA1 P78396 10/20 0.47
MTOR P42345 3/20 0.43
RPTOR Q8N122 3/20 0.43
MLST8 Q9BVC4 3/20 0.43
RPS6KA4 O75676 1/20 0.41
STK10 O94804 1/20 0.41
LATS1 O95835 1/20 0.41
PAK4 O96013 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
NQO2 P16083 1/20 0.41
CSNK2A2 P19784 1/20 0.41
MARK3 P27448 1/20 0.41
MAP2K2 P36507 1/20 0.41
TGFBR2 P37173 1/20 0.41
PRKCI P41743 1/20 0.41
PSMC4 P43686 1/20 0.41

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
SCHEMBL15007415 0.91 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL19414 0.90 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL15031407 0.90 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL15007025 0.90 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL27225 0.90 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL19415 0.90 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL15031405 0.90 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7883681 0.89 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL15007399 0.89 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL16229235 0.89 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1MTOR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608669-B1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2016-06-22 EP claimed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 US claimed
EP-2608669-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-03 EP claimed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 US claimed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO claimed
EP-2608669-B1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2016-06-22 EP disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 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 (1 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-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RPS6KA5, PAK5 CHEK1 591/4885CCNA2 2405/4885CDK2 260/4885

“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.