SCHEMBL7874886

SCHEMBL7874886

COC(=O)CCCCCc1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3cnc4ccccc4c3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.34
PPARG P37231 1/20 0.32
GBA1 P04062 1/20 0.32
UTRN P46939 1/20 0.32
MAPT P10636 1/20 0.31
HDAC1 Q13547 4/20 0.31
MTOR P42345 1/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CCNC P24863 1/20 0.31

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
SCHEMBL10239378 0.86 LTB4R (0.37) LTB4RGBA1MAPTHDAC1MTOR
SCHEMBL589059 0.85 HCAR2 (0.33) PPARGUTRNMAPTFAAHSMO
SCHEMBL6894157 0.81 PIK3CA (0.41) LTB4RMAPTHDAC1MTORHDAC2
SCHEMBL7879162 0.80 RAB9A (0.39) MAPTMEN1KMT2A
SCHEMBL587734 0.80 HCAR2 (0.33) PPARGMAPTMTORFAAHDGAT1
SCHEMBL2679335 0.80 DGAT1 (0.37) MTORDGAT1SMO
SCHEMBL10236654 0.80 DGAT1 (0.37) MTORDGAT1SMO
SCHEMBL31339 0.80 KDM4E (0.33) UTRNMAPTMEN1KMT2A
SCHEMBL1083466 0.79 AKR1C3 (0.32) UTRN
SCHEMBL584192 0.78 HSP90AA1 (0.38) MAPTMTORMEN1KMT2A

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 LTB4R 4211/4885PPARG 1705/4885GBA1 3188/4885

“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.