SCHEMBL2394781

SCHEMBL2394781

CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5ccc(NS(C)(=O)=O)nc5)cc4c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.42
▸ PIK3CA P42336 6/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ MAP2K4 P45985 1/20 0.38
▸ PIK3CG P48736 3/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ ATR Q13535 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ CLK4 Q9HAZ1 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
SCHEMBL1557579 0.87 CYP1A2 (0.46) ALDH1A1CLK4PDPK1JAK2
SCHEMBL1558848 0.87 MTOR (0.49) MTORPIK3CAPIK3CDALDH1A1PIK3CG
SCHEMBL1557610 0.86 PIK3CA (0.45) MTORPIK3CAPIK3CDMAPK10MAP2K4
SCHEMBL2399435 0.84 MTOR (0.45) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1558156 0.83 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2396594 0.83 CYP1A2 (0.44) MTORALDH1A1MAPK10MAP2K4JAK3
SCHEMBL1559132 0.83 MTOR (0.44) MTORPIK3CAPIK3CDALDH1A1MAP2K4
SCHEMBL1558861 0.83 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1559490 0.83 TRPA1 (0.44) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2398194 0.82 PRKDC (0.46) MTORPIK3CAPIK3CDALDH1A1MAPK10

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 MTOR 26/4885PIK3CA 1/4885PIK3CD 6/4885

“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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