SCHEMBL1438784

SCHEMBL1438784

Cc1ccc(C2COC(=O)N2)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.35
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
DGAT1 O75907 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
S1PR1 P21453 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
SCHEMBL1438781 1.00 TNKS (0.35) TNKSPDE3BPDE3ADGAT1HDAC1
SCHEMBL1440721 1.00 TNKS (0.35) TNKSPDE3BPDE3ADGAT1HDAC1
SCHEMBL28983087 0.80 CYP19A1 (0.41)
SCHEMBL28983084 0.80 CYP19A1 (0.41)
SCHEMBL29669552 0.76 LMNA (0.33)
SCHEMBL1440498 0.75 CHRNB2 (0.50) HDAC1
SCHEMBL1440501 0.75 CHRNB2 (0.50) HDAC1
SCHEMBL28983075 0.74 DGAT1 (0.48) DGAT1
SCHEMBL28983077 0.74 DGAT1 (0.48) DGAT1
SCHEMBL23632413 0.73 DGAT1 (0.34) DGAT1

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 TNKS 833/4885PDE3B 2742/4885PDE3A 2859/4885

“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.