SCHEMBL10081075

SCHEMBL10081075

COc1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.69
▸ NPC1 O15118 5/20 0.69
▸ RAB9A P51151 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.69
▸ MAPT P10636 4/20 0.69
▸ PIK3CG P48736 11/20 0.67
▸ PIK3CA P42336 9/20 0.64
▸ NFKB1 P19838 2/20 0.59
▸ NFKB2 Q00653 2/20 0.59
▸ RELA Q04206 2/20 0.59
▸ PDE10A Q9Y233 1/20 0.59
▸ POLB P06746 1/20 0.58
▸ PIK3CD O00329 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ AKT1 P31749 1/20 0.55
▸ MTOR P42345 1/20 0.55
▸ CYP1A2 P05177 1/20 0.51

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
SCHEMBL10081045 0.93 PIK3CG (0.65) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10081024 0.92 PIK3CG (0.61) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10081071 0.92 PIK3CG (0.67) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10081070 0.92 PIK3CG (0.64) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10081025 0.92 PIK3CG (0.64) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10081021 0.92 NPC1 (0.68) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10081068 0.92 PIK3CG (0.63) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10081033 0.91 PIK3CG (0.67) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10081042 0.90 PIK3CG (0.64) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10081023 0.90 PIK3CG (0.61) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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 5 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-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 1406/4885RAB9A 1134/4885

“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.

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