SCHEMBL10239686

SCHEMBL10239686

Bc1c(C2CCN(S(C)(=O)=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
PIK3CA P42336 5/20 0.40
KDR P35968 2/20 0.37
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
ETV6 P41212 1/20 0.37
KCNH2 Q12809 1/20 0.37
CCDC6 Q16204 1/20 0.37
CHEK1 O14757 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
EGFR P00533 4/20 0.35
MTOR P42345 4/20 0.35
FGFR2 P21802 3/20 0.35
AKT1 P31749 2/20 0.35
HCK P08631 2/20 0.35
LCK P06239 1/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 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
SCHEMBL6894469 0.90 CHEK1 (0.47) METPIK3CAKDRRETKIF5B
SCHEMBL6891401 0.85 CHEK1 (0.43) METPIK3CAKDRRETKIF5B
SCHEMBL10235015 0.82 CHEK1 (0.46) PIK3CARETCHEK1CCNA2CDK2
SCHEMBL10234596 0.81 CHEK1 (0.44) PIK3CARETCHEK1CCNA2CDK2
SCHEMBL7883101 0.81 PIK3CA (0.38) METPIK3CAKDRCHEK1CCNA2
SCHEMBL6893583 0.81 CHEK1 (0.45) PIK3CARETCHEK1CCNA2CDK2
SCHEMBL7882530 0.80 CHEK1 (0.50) RETCHEK1CCNA2CDK2CCNA1
SCHEMBL7874758 0.80 DGAT1 (0.41) PIK3CAKCNH2CHEK1CCNA2CDK2
SCHEMBL2680149 0.80 CHEK1 (0.44) METPIK3CARETCHEK1CCNA2
SCHEMBL6891852 0.80 CHEK1 (0.45) METPIK3CACHEK1CCNA2CDK2

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 2 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

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 MET 1965/4885PIK3CA 34/4885KDR 3315/4885

“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.