SCHEMBL1439149

SCHEMBL1439149

Cc1ccc(F)c([C@H]2COC(=O)N2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.33
MTOR P42345 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ALOX5 P09917 1/20 0.31
NTRK1 P04629 1/20 0.30

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
SCHEMBL1439152 1.00 S1PR1 (0.33) S1PR1MTORNOS1NOS2PDE3B
SCHEMBL1439185 0.77 HPGD (0.39) ALOX5NTRK1
SCHEMBL1439189 0.77 HPGD (0.39) ALOX5NTRK1
SCHEMBL1440721 0.72 TNKS (0.35) S1PR1PDE3BPDE3A
SCHEMBL1438784 0.72 TNKS (0.35) S1PR1PDE3BPDE3A
SCHEMBL1438781 0.72 TNKS (0.35) S1PR1PDE3BPDE3A
SCHEMBL1438948 0.70 ABCC9 (0.37) PDE3BPDE3A
SCHEMBL1439284 0.70 ABCC9 (0.37) PDE3BPDE3A
SCHEMBL29662110 0.70 ABCC9 (0.37) PDE3BPDE3A
SCHEMBL1438946 0.70 ABCC9 (0.37) PDE3BPDE3A

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 S1PR1 2078/4885MTOR 1/4885NOS1 2205/4885

“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.