SCHEMBL10237285

SCHEMBL10237285

Nc1c(-c2ccsc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.45
CCNA2 P20248 6/20 0.45
CDK2 P24941 6/20 0.45
CCNA1 P78396 6/20 0.45
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PIK3CA P42336 4/20 0.38
DGAT1 O75907 3/20 0.38
KDR P35968 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AKT1 P31749 2/20 0.35
MTOR P42345 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL7882445 0.92 CHEK1 (0.45) CHEK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL7882121 0.91 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL6893866 0.90 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL6893848 0.90 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL7878568 0.88 MEN1 (0.44) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL7882448 0.88 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL2680297 0.86 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL2679709 0.86 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL10237251 0.86 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL7874758 0.86 DGAT1 (0.41) CHEK1CCNA2CDK2CCNA1PIK3CA

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 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.