SCHEMBL1439353

SCHEMBL1439353

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MMP9 P14780 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40

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
SCHEMBL9906339 1.00 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL1439357 1.00 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13868568 0.88 NPC1 (0.54) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13786813 0.88 NPC1 (0.54) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL25012609 0.83 NPC1 (0.46) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL1556751 0.83 NPC1 (0.64) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL5995010 0.83 NPC1 (0.46) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL1556749 0.83 NPC1 (0.64) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL10358866 0.82 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL27776082 0.82 MAPT (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB

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 8 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
US-7833993-B2 Immunomodulatory compounds and methods of use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-7833993-B2 Immunomodulatory compounds and methods of use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-7560584-B2 Immunomodulatory compounds and methods of use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-14 US disclosed
US-7560584-B2 Immunomodulatory compounds and methods of use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-14 US disclosed
EP-1511499-B1 IMMUNOMODULATORY COMPOUNDS AND METHODS OF USE THEREOF EISAI R&D MAN CO LTD (JP) 2008-12-03 EP 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.