SCHEMBL2396969

SCHEMBL2396969

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ LRRK2 Q5S007 5/20 0.42
▸ TTK P33981 2/20 0.41
▸ MAPK8 P45983 2/20 0.41
▸ CLK2 P49760 6/20 0.41
▸ CLK3 P49761 5/20 0.41
▸ DYRK1A Q13627 5/20 0.41
▸ PLK4 O00444 1/20 0.40
▸ MAPK10 P53779 1/20 0.40

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
SCHEMBL2399375 0.91 TTK (0.50) CHEK1TTKMAPK8CLK2CLK3
SCHEMBL2397747 0.89 CLK2 (0.51) TTKMAPK8CLK2CLK3DYRK1A
SCHEMBL1558650 0.89 MTOR (0.49) CHEK1TTKMAPK8CLK2CLK3
SCHEMBL2396580 0.82 MAPK10 (0.44) CHEK1CLK2CLK3DYRK1AMAPK10
SCHEMBL1557469 0.81 CLK2 (0.51) CLK2CLK3DYRK1A
SCHEMBL2396769 0.79 MTOR (0.42) CLK2CLK3DYRK1A
SCHEMBL2396806 0.79 CLK2 (0.50) CLK2CLK3DYRK1A
SCHEMBL1559106 0.79 MTOR (0.50) CHEK1TTKMAPK8DYRK1A
SCHEMBL1559386 0.78 CYP11B2 (0.50) CHEK1LRRK2MAPK8CLK2CLK3
Cyclopropane Carboxylic Acid SCHEMBL1557567 0.77 CLK2 (0.48) CLK2CLK3DYRK1A

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
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 CHEK1 327/4885PIK3CG 11/4885MAPK1 55/4885

“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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