SCHEMBL10081036

SCHEMBL10081036

CCOc1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
NPC1 O15118 3/20 0.61
MAPT P10636 3/20 0.61
RAB9A P51151 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
PIK3CG P48736 13/20 0.61
PIK3CD O00329 1/20 0.59
PIK3CA P42336 10/20 0.59
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PDE10A Q9Y233 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CSNK1D P48730 1/20 0.48

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
SCHEMBL10081052 0.93 MEN1 (0.71) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10081068 0.90 PIK3CG (0.63) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10081047 0.88 MEN1 (0.61) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10081035 0.88 NPC1 (0.61) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10081151 0.88 PIK3CD (0.59) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10081034 0.87 PIK3CG (0.60) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10081143 0.87 PIK3CG (0.61) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10081144 0.87 PIK3CG (0.59) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10081152 0.87 PIK3CG (0.59) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10081021 0.87 NPC1 (0.68) MEN1NPC1MAPTRAB9AKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 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-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG MEN1 3841/4885NPC1 1406/4885MAPT 3245/4885

“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.