SCHEMBL10240140

SCHEMBL10240140

N#Cc1c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn2c1N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
JAK2 O60674 9/20 0.38
JAK1 P23458 9/20 0.38
JAK3 P52333 9/20 0.38
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
PAX8 Q06710 1/20 0.36
MET P08581 2/20 0.35
MTOR P42345 2/20 0.35
RPTOR Q8N122 2/20 0.35
MLST8 Q9BVC4 2/20 0.35
RPS6KB1 P23443 1/20 0.35
AKT1 P31749 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
SCHEMBL10280310 0.92 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL10235088 0.89 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL10240137 0.88 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL10240139 0.87 RET (0.36) CHEK1CCNA2CDK2CCNA1JAK2
SCHEMBL2680023 0.81 MTOR (0.40) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL2680026 0.81 MTOR (0.40) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10280311 0.79 CHEK1 (0.45) CHEK1CCNA2CDK2CCNA1ALOX5AP
SCHEMBL10235092 0.79 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL14299056 0.79 MTOR (0.42) CHEK1CCNA2CDK2CCNA1JAK2
SCHEMBL14298551 0.79 MTOR (0.56) 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 1 patent. 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

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.