SCHEMBL2396769

SCHEMBL2396769

CC(C)(C)OC(=O)Nc1cncc(-c2ccc3ncc4[nH]nc(-c5ccc(C(C)(C)C#N)cc5)c4c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 7/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ CLK2 P49760 10/20 0.40
▸ CLK3 P49761 10/20 0.40
▸ DYRK1A Q13627 10/20 0.40
▸ WNT1 P04628 2/20 0.39

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
SCHEMBL1558650 0.90 MTOR (0.49) MTORCLK2CLK3DYRK1AWNT1
SCHEMBL1557469 0.90 CLK2 (0.51) MTORCLK2CLK3DYRK1AWNT1
SCHEMBL2396806 0.87 CLK2 (0.50) MTORCLK2CLK3DYRK1AWNT1
Cyclopropane Carboxylic Acid SCHEMBL1557567 0.85 CLK2 (0.48) MTORCLK2CLK3DYRK1AWNT1
SCHEMBL2395780 0.85 DYRK1A (0.48) MAP4K4CLK2CLK3DYRK1AWNT1
SCHEMBL1557610 0.84 PIK3CA (0.45) MTORMAP4K4CLK2DYRK1A
SCHEMBL1559115 0.83 CLK2 (0.45) MTORCLK2CLK3DYRK1AWNT1
SCHEMBL2396765 0.82 MTOR (0.41) MTORMAP4K4DYRK1AWNT1
SCHEMBL2395700 0.82 CLK2 (0.40) MTORCLK2CLK3DYRK1AWNT1
SCHEMBL1558762 0.82 CDK7 (0.49) MTORDYRK1A

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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — 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 (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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 MTOR 26/4885MAP4K4 173/4885CLK2 408/4885

“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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