SCHEMBL7874486

SCHEMBL7874486

COCC(=O)N1CCC(CCc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.45
CHEK1 O14757 5/20 0.40
CCNA2 P20248 5/20 0.40
CDK2 P24941 5/20 0.40
CCNA1 P78396 5/20 0.40
EGFR P00533 3/20 0.37
FGFR2 P21802 3/20 0.37
AKT1 P31749 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CA P42336 2/20 0.36
PDE10A Q9Y233 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL10234320 0.90 CHEK1 (0.41) METCHEK1CCNA2CDK2CCNA1
SCHEMBL7880787 0.90 CHEK1 (0.42) METCHEK1CCNA2CDK2CCNA1
SCHEMBL7882506 0.87 MET (0.45) METEGFRFGFR2AKT1MTOR
SCHEMBL7874155 0.85 MET (0.46) METEGFRFGFR2AKT1MTOR
SCHEMBL7874683 0.84 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1EGFR
SCHEMBL7879860 0.84 CHEK1 (0.42) METCHEK1CCNA2CDK2CCNA1
SCHEMBL7875108 0.84 CHEK1 (0.42) METCHEK1CCNA2CDK2CCNA1
SCHEMBL7879875 0.82 CHEK1 (0.41) METCHEK1CCNA2CDK2CCNA1
SCHEMBL7886244 0.81 MET (0.46) METEGFRFGFR2AKT1MTOR
SCHEMBL10234593 0.80 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1EGFR

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 MET 1965/4885CHEK1 461/4885CCNA2 2476/4885

“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.