SCHEMBL10276786

SCHEMBL10276786

COc1ccc(CNC(=O)C(NC(=O)OC(C)(C)C)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
CTSD P07339 1/20 0.52
BACE1 P56817 5/20 0.49
HTRA1 Q92743 2/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL10276787 1.00 CA2 (0.55) CA2MEN1KMT2ACTSSCTSK
SCHEMBL8769095 0.88 CA2 (0.71) CA2MEN1KMT2ACTSSCTSK
SCHEMBL27820614 0.87 CA2 (0.54) CA2MEN1KMT2ACTSSCTSK
SCHEMBL4750042 0.86 CTSS (0.61) CTSSCTSKBACE1
SCHEMBL1752665 0.84 CTSS (0.57) CA2CTSSCTSKBACE1
SCHEMBL7329532 0.84 BACE1 (0.62) CA2CTSSCTSKBACE1
SCHEMBL7341348 0.83 PSMB5 (0.51) CA2CTSSCTSK
SCHEMBL5363519 0.82 ALDH1A1 (0.53) CA2MEN1KMT2ACTSSCTSK
SCHEMBL5356158 0.82 ALDH1A1 (0.53) CA2MEN1KMT2ACTSSCTSK
SCHEMBL7652554 0.81 NPC1 (0.58) MEN1KMT2AALDH1A1LMNA

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-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 CA2 4446/4885MEN1 845/4885KMT2A 2140/4885

“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.