SCHEMBL7883136

SCHEMBL7883136

Nc1c(C2CC2)c(CNC2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
HSP90AA1 P07900 3/20 0.39
MET P08581 2/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
MAP4K4 O95819 1/20 0.35
PDE10A Q9Y233 1/20 0.34
PIM1 P11309 1/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
EGFR P00533 3/20 0.33
FGFR2 P21802 3/20 0.33
AKT1 P31749 1/20 0.33
OPRK1 P41145 1/20 0.33
RIPK3 Q9Y572 1/20 0.33

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
SCHEMBL6893658 0.89 JAK1 (0.42) JAK1JAK3HSP90AA1METPIK3CA
SCHEMBL7882163 0.87 JAK1 (0.41) JAK1JAK3HSP90AA1METPIK3CA
SCHEMBL6893755 0.82 JAK1 (0.44) JAK1JAK3HSP90AA1METPIK3CA
SCHEMBL7883682 0.80 CHEK1 (0.41) JAK1JAK3HSP90AA1CHEK1CCNA2
SCHEMBL7874894 0.79 MAP4K4 (0.41) JAK1JAK3METCHEK1CCNA2
SCHEMBL1073784 0.79 HSP90AA1 (0.40) JAK1JAK3HSP90AA1PIK3CAMTOR
SCHEMBL7874811 0.79 CHEK1 (0.49) HSP90AA1METCHEK1CCNA2CDK2
SCHEMBL7879813 0.79 CHEK1 (0.40) HSP90AA1PIK3CAMTORCHEK1CCNA2
SCHEMBL6892935 0.78 CHEK1 (0.40) HSP90AA1CHEK1CCNA2CDK2CCNA1
SCHEMBL7874807 0.78 CHEK1 (0.39) JAK1JAK3HSP90AA1PIK3CACHEK1

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 JAK1 735/4885JAK3 1349/4885HSP90AA1 617/4885

“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.