SCHEMBL12460385

SCHEMBL12460385

N#Cc1c(C2CC3CCC(C2)N3)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.47
CCNA2 P20248 6/20 0.47
CDK2 P24941 6/20 0.47
CCNA1 P78396 6/20 0.47
MTOR P42345 5/20 0.46
RPTOR Q8N122 5/20 0.46
MLST8 Q9BVC4 5/20 0.46
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
CSNK2A1 P68400 1/20 0.37
BLM P54132 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL2147524 1.00 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL2147532 1.00 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL12460384 0.88 MTOR (0.44) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL14298566 0.88 MTOR (0.44) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL17399404 0.88 MTOR (0.44) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL597238 0.88 CHEK1 (0.52) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL14246084 0.86 MTOR (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL12461046 0.86 MTOR (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL12461633 0.86 MTOR (0.46) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL17399465 0.86 MTOR (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-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 CHEK1 587/4885CCNA2 633/4885CDK2 29/4885

“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.