SCHEMBL2400727

SCHEMBL2400727

CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5cncc(N6CCOCC6)c5)cc4c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 9/20 0.48
▸ DYRK1A Q13627 2/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ CLK3 P49761 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ WNT1 P04628 1/20 0.40
▸ PIK3CA P42336 4/20 0.39
▸ MTOR P42345 4/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ ATR Q13535 2/20 0.39

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
SCHEMBL2398394 0.93 DYRK1A (0.47) LRRK2DYRK1ACLK2CLK3WNT1
SCHEMBL2397132 0.91 DYRK1A (0.44) LRRK2DYRK1ACLK2CLK3WNT1
SCHEMBL1557449 0.91 LRRK2 (0.42) LRRK2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1558837 0.90 LRRK2 (0.43) LRRK2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1557503 0.87 WNT1 (0.43) LRRK2DYRK1AWNT1PIK3CAMTOR
SCHEMBL2399235 0.87 ALDH1A1 (0.46) LRRK2DYRK1ACLK2CLK3WNT1
SCHEMBL2396990 0.87 GSK3B (0.45) DYRK1ACLK2CLK3WNT1CHEK1
SCHEMBL1558859 0.87 DGAT1 (0.45) LRRK2
SCHEMBL2394460 0.86 LRRK2 (0.52) LRRK2
SCHEMBL1558939 0.85 ALDH1A1 (0.42) LRRK2PIK3CAMTORPIK3CDPIK3CB

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 372/4885DYRK1A 360/4885CLK2 408/4885

“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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