SCHEMBL21197

SCHEMBL21197

CSc1c(C2CCC(O)(CO)CC2)nc2c(-c3cnn(-c4ccccc4)c3)cnn2c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.41
CCNA2 P20248 18/20 0.41
CDK2 P24941 18/20 0.41
CCNA1 P78396 18/20 0.41
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
RPS6KA4 O75676 1/20 0.35
STK10 O94804 1/20 0.35
LATS1 O95835 1/20 0.35
PAK4 O96013 1/20 0.35
RET P07949 1/20 0.35
PIM1 P11309 1/20 0.35
NQO2 P16083 1/20 0.35
CSNK2A2 P19784 1/20 0.35
MARK3 P27448 1/20 0.35

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
SCHEMBL19015 0.87 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL18975 0.86 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL26939 0.85 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL21922 0.83 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL15006972 0.83 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL20640 0.83 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL15007311 0.81 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL20972 0.81 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL15007359 0.80 CFTR (0.34) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL15007327 0.79 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1RPS6KA4

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 10 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 disclosed
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
EP-2608669-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-03 EP 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
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 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 (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.