SCHEMBL2393929

SCHEMBL2393929

COc1cncc(-c2ccc3ncc4[nH]nc(-c5ccc(C(C)(C)C#N)cc5)c4c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 2/20 0.42
▸ CLK3 P49761 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ CDK7 P50613 2/20 0.41
▸ MTOR P42345 8/20 0.40
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ PIK3CA P42336 3/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ MAP4K2 Q12851 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ AKT1 P31749 2/20 0.37
▸ CDC7 O00311 2/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ MAP4K4 O95819 2/20 0.37

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
SCHEMBL1558782 0.91 MTOR (0.42) DYRK1ACDK7MTORPIK3CAPIK3CD
SCHEMBL1558598 0.90 PDPK1 (0.44) CDK7MTORPIK3CAPIK3CDLRRK2
SCHEMBL12266421 0.88 MTOR (0.42) CDK7MTORCYP11B1CYP11B2PRMT5
SCHEMBL2396054 0.87 MAP4K4 (0.46) CDK7MTORCYP11B1CYP11B2PRMT5
SCHEMBL1559244 0.87 CLK2 (0.43) CLK2CLK3DYRK1ACDK7MTOR
SCHEMBL1558604 0.86 PDPK1 (0.41) CLK2CLK3DYRK1ACDK7MTOR
SCHEMBL2396765 0.86 MTOR (0.41) DYRK1ACDK7MTORPIK3CAPIK3CD
SCHEMBL1558156 0.85 MTOR (0.55) CDK7MTORPIK3CAPIK3CDLRRK2
SCHEMBL1557499 0.84 MKNK1 (0.44) CLK2CLK3DYRK1ACDK7MTOR
SCHEMBL2400097 0.84 FGFR2 (0.46) CDK7MTORPIK3CAPIK3CDLRRK2

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 1 patent. 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

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 CLK2 408/4885CLK3 506/4885DYRK1A 360/4885

“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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