SCHEMBL1439668

SCHEMBL1439668

CCOC[C@H]1COC(c2ccccc2)=N1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
POLB P06746 1/20 0.49
TAAR1 Q96RJ0 4/20 0.47
ALDH1A1 P00352 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL1439672 1.00 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2DRD2
SCHEMBL13071240 0.86 TAAR1 (0.46) NPC1MAPTRAB9ASMN1; SMN2DRD2
SCHEMBL18130894 0.84 NPC1 (0.51) NPC1MAPTRAB9ASMN1; SMN2DRD2
SCHEMBL18130892 0.84 NPC1 (0.51) NPC1MAPTRAB9ASMN1; SMN2DRD2
SCHEMBL10703223 0.84 TAAR1 (0.44) NPC1MAPTRAB9ASMN1; SMN2DRD2
SCHEMBL13030119 0.84 TAAR1 (0.68) NPC1MAPTRAB9ASMN1; SMN2DRD2
SCHEMBL13980023 0.82 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2DRD2
SCHEMBL10358866 0.82 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2DRD2
SCHEMBL7691543 0.82 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2DRD2
SCHEMBL3051865 0.81 NPC1 (0.54) NPC1MAPTRAB9ASMN1; SMN2DRD2

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 NPC1 1685/4885MAPT 3366/4885RAB9A 637/4885

“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.