SCHEMBL10141567

SCHEMBL10141567

CC(=O)C(C)(C)n1cc(C(C)C)cn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.33
EGLN1 Q9GZT9 1/20 0.32
KDM5B Q9UGL1 1/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL21721658 0.86 LMNA (0.41) ACHEEGLN1CYP2D6CYP2C9HIF1A
SCHEMBL18948381 0.84 PDK2 (0.36) ACHEEGLN1
SCHEMBL10141565 0.83 ACHE (0.37) ACHEEGLN1
SCHEMBL19939682 0.81 MAP4K4 (0.37) ACHEEGLN1
SCHEMBL13165394 0.79 CYP2D6 (0.33) ACHEEGLN1KDM5BCYP2D6CYP2C9
SCHEMBL15703072 0.79 KDM5B (0.37) KDM5B
SCHEMBL13165393 0.79 PDK2 (0.38) KDM5B
SCHEMBL19531691 0.79 KDM5B (0.43) KDM5B
SCHEMBL13165388 0.77 CYP2D6 (0.33) ACHEEGLN1KDM5BCYP2D6CYP2C9
SCHEMBL15592365 0.77 LMNA (0.32) EGLN1

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-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US 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 (3 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ACHE 4231/4885EGLN1 2122/4885KDM5B 3260/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ACHE 4231/4885EGLN1 2122/4885KDM5B 3260/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ACHE 4231/4885EGLN1 2122/4885KDM5B 3260/4885

“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.