SCHEMBL2396913

SCHEMBL2396913

COc1cccc(-c2ccc3ncc4[nH]nc(-c5cccc(C)c5)c4c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ LRRK2 Q5S007 4/20 0.38
▸ CLK4 Q9HAZ1 3/20 0.36
▸ KIT P10721 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ MAP2K4 P45985 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ METAP2 P50579 1/20 0.35

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
SCHEMBL2396263 0.82 MTOR (0.42) RIPK2LRRK2CLK4ALOX5APPDPK1
SCHEMBL1559214 0.76 MAPK10 (0.46) MAP4K4LRRK2CLK4NTRK1
SCHEMBL1558709 0.75 NPBWR1 (0.46) MAP4K4ACHEIDO1
SCHEMBL1558643 0.74 PIM1 (0.39) MAP4K4LRRK2CLK4BCHEACHE
SCHEMBL12499023 0.74 CNR1 (0.49) ACHEIDO1METAP2
SCHEMBL2396142 0.74 PIM1 (0.38) MAP4K4LRRK2CLK4AURKAROCK1
SCHEMBL1559198 0.73 PDPK1 (0.46) MAP4K4LRRK2CLK4PDPK1ROCK1
SCHEMBL1559133 0.72 MAP3K5 (0.40) MAP4K4LRRK2PDPK1PIM1
SCHEMBL2395253 0.72 DYRK1A (0.46) LRRK2PIM1
SCHEMBL2398692 0.71 CNR2 (0.48) LRRK2PIM1

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 RIPK2 314/4885MAP4K4 173/4885LRRK2 372/4885

“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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