SCHEMBL2396054

SCHEMBL2396054

CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5cncc(C#N)c5)cc4c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ MTOR P42345 11/20 0.39
▸ LRRK2 Q5S007 4/20 0.39
▸ PIK3CA P42336 4/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ ATR Q13535 2/20 0.38
▸ PIK3C2A O00443 1/20 0.38
▸ PIK3C2B O00750 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ MET P08581 1/20 0.38

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
SCHEMBL2399245 0.90 PDPK1 (0.41) MAP4K4MTORLRRK2PIK3CAPIK3CD
SCHEMBL12266421 0.89 MTOR (0.42) PRMT5WDR77MTORLRRK2PIK3CA
SCHEMBL1559244 0.89 CLK2 (0.43) MTORLRRK2PIK3CAPIK3CDPDPK1
SCHEMBL1558604 0.88 PDPK1 (0.41) MTORLRRK2PIK3CAPIK3CDPDPK1
SCHEMBL2393929 0.87 CLK2 (0.42) MAP4K4IRAK4PRMT5WDR77MTOR
SCHEMBL1557499 0.86 MKNK1 (0.44) MTORLRRK2PIK3CAPIK3CDPDPK1
SCHEMBL1558963 0.86 PDPK1 (0.37) MAP4K4MTORLRRK2PIK3CAPIK3CD
SCHEMBL1557389 0.85 PDPK1 (0.45) MAP4K4MTORLRRK2PIK3CAPIK3CD
SCHEMBL1558563 0.85 PDPK1 (0.48) MTORLRRK2PIK3CAPIK3CDPDPK1
SCHEMBL1559173 0.85 MTOR (0.42) MTORLRRK2PIK3CAPIK3CDPDPK1

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 MAP4K4 173/4885IRAK4 535/4885PRMT5 1057/4885

“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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