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SCHEMBL20640

SCHEMBL20640

COCCO[C@]1(C(=O)O)CC[C@H](c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2SC)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 11/20 0.37
▸ CCNA2 P20248 11/20 0.37
▸ CDK2 P24941 11/20 0.37
▸ CCNA1 P78396 11/20 0.37
▸ GRM4 Q14833 4/20 0.36
▸ TTK P33981 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ RET P07949 1/20 0.33
▸ KIF5B P33176 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ETV6 P41212 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CCDC6 Q16204 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ GRM2 Q14416 1/20 0.33

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
SCHEMBL21922 1.00 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15006972 1.00 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007223 0.94 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL22015 0.94 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007221 0.94 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007311 0.94 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL20972 0.93 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007359 0.91 CFTR (0.34) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL15007236 0.90 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL29752 0.90 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1GRM4

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-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
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
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.