SCHEMBL10080947

SCHEMBL10080947

CCCCCNC(=O)c1cccc(C(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.68
NAAA Q02083 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51
EPHX1 P07099 1/20 0.50
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MLYCD O95822 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 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
SCHEMBL30277616 0.90 TP53BP1 (0.67) TP53BP1SMN1; SMN2NAAAL3MBTL1GAA
SCHEMBL104557 0.90 TP53BP1 (0.67) TP53BP1SMN1; SMN2NAAAL3MBTL1GAA
SCHEMBL23490253 0.86 TP53BP1 (0.70) TP53BP1SMN1; SMN2L3MBTL1GAALMNA
SCHEMBL18232445 0.86 TP53BP1 (0.70) TP53BP1SMN1; SMN2L3MBTL1GAALMNA
SCHEMBL6535127 0.85 SMN1; SMN2 (0.87) TP53BP1SMN1; SMN2NAAAL3MBTL1GAA
SCHEMBL131829 0.85 SMN1; SMN2 (0.87) TP53BP1SMN1; SMN2NAAAL3MBTL1GAA
SCHEMBL21345718 0.84 TP53BP1 (0.67) TP53BP1SMN1; SMN2L3MBTL1GAANPC1
SCHEMBL104339 0.83 HPGD (0.71) TP53BP1SMN1; SMN2LMNAKMT2AHSD17B10
SCHEMBL30277542 0.83 TP53BP1 (0.62) TP53BP1SMN1; SMN2L3MBTL1GAANPC1
SCHEMBL14445019 0.83 TP53BP1 (0.62) TP53BP1SMN1; SMN2L3MBTL1GAANPC1

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-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
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 TP53BP1 1597/4885SMN1; SMN2 3180/4885NAAA 3784/4885

“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.