SCHEMBL2398645

SCHEMBL2398645

Cc1cccc(-c2n[nH]c3cnc4ccc(-c5ccc(CN6CCOCC6)nc5)cc4c23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.42
▸ ICMT O60725 2/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ GRIN2B Q13224 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ SRC P12931 2/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ WNT1 P04628 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ STK4 Q13043 1/20 0.36
▸ STK3 Q13188 1/20 0.36

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
SCHEMBL2398692 0.85 CNR2 (0.48) LRRK2KDR
SCHEMBL1558639 0.83 SRC (0.41) LRRK2JAK2SRCCLK4CHEK1
SCHEMBL2396142 0.74 PIM1 (0.38) LRRK2JAK2DYRK1ACLK2CYP1A2
SCHEMBL2395253 0.74 DYRK1A (0.46) LRRK2DYRK1ACLK2CLK3WNT1
SCHEMBL1559214 0.72 MAPK10 (0.46) LRRK2CYP1A2CYP3A4CLK4CYP2D6
SCHEMBL1558709 0.72 NPBWR1 (0.46) CYP1A2CYP3A4RAF1ALDH1A1
SCHEMBL1559133 0.71 MAP3K5 (0.40) LRRK2CYP1A2CYP3A4CYP2D6RAF1
SCHEMBL2396990 0.70 GSK3B (0.45) JAK2DYRK1ACLK2CLK3SRC
SCHEMBL2396513 0.70 LRRK2 (0.53) LRRK2KDR
SCHEMBL1559198 0.70 PDPK1 (0.46) LRRK2JAK2CYP1A2CLK4CHEK1

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 LRRK2 372/4885ICMT 4161/4885JAK2 109/4885

“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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