SCHEMBL1441102

SCHEMBL1441102

C[Si](C)(C)CCOCn1cnc(-c2ccc(Br)c(Cl)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.35
HDAC1 Q13547 7/20 0.33
HDAC6 Q9UBN7 7/20 0.33
S1PR1 P21453 2/20 0.33
XPO1 O14980 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL10276944 0.87 S1PR1 (0.42) DGAT1HDAC1HDAC6S1PR1MAPT
SCHEMBL10276518 0.86 DGAT1 (0.41) DGAT1HDAC1HDAC6S1PR1
SCHEMBL30722053 0.86 DGAT1 (0.41) DGAT1HDAC1HDAC6S1PR1
SCHEMBL3508159 0.82 DGAT1 (0.40) DGAT1HDAC1HDAC6KDM4EMAPT
SCHEMBL1785976 0.82 DGAT1 (0.39) DGAT1HDAC1HDAC6XPO1KDM4E
SCHEMBL10276731 0.80 DGAT1 (0.45) DGAT1KDM4E
SCHEMBL1442690 0.79
SCHEMBL30726006 0.76 HDAC1 (0.46) DGAT1HDAC1HDAC6S1PR1KDM4E
SCHEMBL30503765 0.74 DGAT1 (0.42) DGAT1HDAC1HDAC6XPO1
SCHEMBL1441262 0.74 DGAT1 (0.45) DGAT1KDM4EMAPT

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-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
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 DGAT1 4722/4885HDAC1 578/4885HDAC6 1929/4885

“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.