SCHEMBL2398692

SCHEMBL2398692

Cc1cccc(-c2n[nH]c3cnc4ccc(-c5ccc(N6CCOCC6)nc5)cc4c23)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.48
▸ LRRK2 Q5S007 10/20 0.47
▸ PIM1 P11309 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ ETV6 P41212 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ ATR Q13535 1/20 0.42

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
SCHEMBL2398645 0.85 LRRK2 (0.42) LRRK2KDR
SCHEMBL1558859 0.82 DGAT1 (0.45) CNR2LRRK2MAPK1KDRETV6
SCHEMBL2395253 0.78 DYRK1A (0.46) LRRK2PIM1
SCHEMBL2396513 0.77 LRRK2 (0.53) LRRK2PIM1KDRETV6
SCHEMBL2396142 0.76 PIM1 (0.38) LRRK2PIM1MAPK1KDR
SCHEMBL14098982 0.75 LRRK2 (0.55) CNR2LRRK2MAPK1KDRETV6
SCHEMBL1559214 0.74 MAPK10 (0.46) LRRK2MAPK1KDR
SCHEMBL1557449 0.74 LRRK2 (0.42) LRRK2PIM1MAPK1ATR
SCHEMBL1558709 0.74 NPBWR1 (0.46) —
SCHEMBL2395588 0.73 ACVR1 (0.44) CNR2LRRK2ATR

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 CNR2 2414/4885LRRK2 372/4885PIM1 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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