SCHEMBL7874790

SCHEMBL7874790

Nc1c(CO)c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.46
CCNA2 P20248 7/20 0.46
CDK2 P24941 7/20 0.46
CCNA1 P78396 7/20 0.46
PIK3CD O00329 1/20 0.39
MTOR P42345 3/20 0.38
RPTOR Q8N122 3/20 0.38
MLST8 Q9BVC4 3/20 0.38
KDR P35968 1/20 0.37
JAK1 P23458 1/20 0.36
NPC1 O15118 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RAB9A P51151 4/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL10234780 0.93 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL7883621 0.93 MTOR (0.43) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7882605 0.90 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL7874812 0.90 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL10238687 0.88 CHEK1 (0.60) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL7883249 0.86 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL2695309 0.86 MTOR (0.43) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7874437 0.86 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL7879078 0.86 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL2685922 0.83 MTOR (0.43) 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.