SCHEMBL7874812

SCHEMBL7874812

COCc1c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.44
CCNA2 P20248 8/20 0.44
CDK2 P24941 8/20 0.44
CCNA1 P78396 8/20 0.44
MTOR P42345 2/20 0.38
RPTOR Q8N122 2/20 0.38
MLST8 Q9BVC4 2/20 0.38
PIK3CD O00329 1/20 0.37
KDR P35968 5/20 0.36
RET P07949 3/20 0.35
KIF5B P33176 3/20 0.35
ETV6 P41212 3/20 0.35
CCDC6 Q16204 3/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
NPM1 P06748 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
PDGFRB P09619 1/20 0.35
FGR P09769 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
SCHEMBL2685735 0.94 MTOR (0.43) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7874790 0.90 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10234780 0.90 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7882605 0.89 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10238687 0.85 CHEK1 (0.60) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7879078 0.85 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7883249 0.84 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7883621 0.83 MTOR (0.43) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL2695309 0.83 MTOR (0.43) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7874437 0.83 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885

“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.