SCHEMBL2680938

SCHEMBL2680938

CCC(=O)c1c(N2CCN3C(=O)NC(=O)C3C2)nc2c(-c3cnc4ccccc4c3)cnn2c1N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.35
EGFR P00533 3/20 0.34
FGFR2 P21802 3/20 0.34
MTOR P42345 3/20 0.34
AKT1 P31749 2/20 0.34
FASN P49327 4/20 0.34
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
ADAMTS5 Q9UNA0 1/20 0.32
HSP90AA1 P07900 1/20 0.32
DYRK1A Q13627 1/20 0.32
LCK P06239 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL7885236 0.92 PIK3CA (0.36) PIK3CAEGFRFGFR2MTORAKT1
SCHEMBL6893405 0.86 EGFR (0.35) PIK3CAEGFRFGFR2MTORAKT1
SCHEMBL6891825 0.86 BRD4 (0.37) PIK3CAEGFRFGFR2MTORAKT1
SCHEMBL10280112 0.85 PIK3CA (0.35) PIK3CAEGFRFGFR2MTORAKT1
SCHEMBL6893362 0.84 BRD4 (0.34) PIK3CAEGFRFGFR2MTORBRD4
SCHEMBL6894420 0.81 PIK3CA (0.36) PIK3CAEGFRFGFR2MTORAKT1
SCHEMBL2686645 0.81 PIK3CA (0.36) PIK3CAEGFRFGFR2MTORAKT1
SCHEMBL2680939 0.79 PIK3CA (0.37) PIK3CAEGFRFGFR2MTORAKT1
SCHEMBL2680940 0.78 PIK3CA (0.36) PIK3CAEGFRFGFR2MTORAKT1
SCHEMBL6894910 0.78 CHEK1 (0.40) PIK3CAEGFRFGFR2MTORAKT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
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
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 PIK3CA 34/4885EGFR 2799/4885FGFR2 1827/4885

“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.