SCHEMBL2396513

SCHEMBL2396513

Cc1cccc(-c2n[nH]c3cnc4ccc(-c5ccnc(N6CCN(S(C)(=O)=O)CC6)c5)cc4c23)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 15/20 0.53
▸ DPP4 P27487 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ ETV6 P41212 1/20 0.40
▸ KIT P10721 1/20 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
SCHEMBL2397113 0.86 LRRK2 (0.47) LRRK2DPP4PIM1KDRETV6
SCHEMBL1558586 0.83 LRRK2 (0.49) LRRK2MAP4K1KDRETV6
SCHEMBL1559133 0.78 MAP3K5 (0.40) LRRK2PIM1
SCHEMBL2398692 0.77 CNR2 (0.48) LRRK2PIM1KDRETV6
SCHEMBL17432698 0.76 LRRK2 (0.70) LRRK2
SCHEMBL16025833 0.76 LRRK2 (0.79) LRRK2
SCHEMBL1558255 0.75 ALDH1A1 (0.46) LRRK2PIM1
SCHEMBL2395253 0.74 DYRK1A (0.46) LRRK2PIM1MAP4K1
SCHEMBL16525085 0.73 LRRK2 (0.61) LRRK2PIM1MAP4K1
SCHEMBL1558709 0.72 NPBWR1 (0.46) —

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 372/4885DPP4 2128/4885PIM1 417/4885

“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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