SCHEMBL10174610

SCHEMBL10174610

Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CN)c1)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.41
▸ AKT1 P31749 10/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PRKACA P17612 2/20 0.31
▸ PRKACG P22612 2/20 0.31
▸ PRKACB P22694 2/20 0.31

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
SCHEMBL11918426 0.92 PIK3CG (0.40) PIK3CG
SCHEMBL10143208 0.92 PIK3CG (0.42) PIK3CGAKT1
SCHEMBL11918403 0.91 PIK3CG (0.41) PIK3CG
SCHEMBL10143063 0.90 PIK3CG (0.51) PIK3CG
SCHEMBL10143285 0.90 PIK3CG (0.38) PIK3CG
SCHEMBL19446315 0.90 PIK3CG (0.38) PIK3CG
SCHEMBL10174618 0.89 PIK3CG (0.46) PIK3CGAKT1BACE1KCNH2
SCHEMBL18948400 0.89 PIK3CG (0.38) PIK3CG
SCHEMBL10143167 0.87 PIK3CG (0.41) PIK3CG
SCHEMBL10143177 0.85 PIK3CG (0.44) PIK3CGKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PIK3CG 4/4885AKT1 31/4885BACE1 1836/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PIK3CG 4/4885AKT1 31/4885BACE1 1836/4885

“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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