SCHEMBL2397113

SCHEMBL2397113

Cc1cccc(-c2n[nH]c3cnc4ccc(-c5cncc(N6CCN(S(C)(=O)=O)CC6)c5)cc4c23)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.47
▸ PIM1 P11309 3/20 0.40
▸ DYRK1A Q13627 5/20 0.38
▸ WNT1 P04628 4/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ ETV6 P41212 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37

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
SCHEMBL2395253 0.89 DYRK1A (0.46) LRRK2PIM1DYRK1AWNT1MAPKAPK2
SCHEMBL2396513 0.86 LRRK2 (0.53) LRRK2PIM1DPP4KDRETV6
SCHEMBL2399235 0.83 ALDH1A1 (0.46) LRRK2PIM1DYRK1AWNT1KDR
SCHEMBL1558255 0.79 ALDH1A1 (0.46) LRRK2PIM1
SCHEMBL1559133 0.78 MAP3K5 (0.40) LRRK2PIM1TSHR
SCHEMBL2398692 0.73 CNR2 (0.48) LRRK2PIM1KDRETV6
SCHEMBL2394510 0.73 ALDH1A1 (0.49) LRRK2KDRETV6
SCHEMBL2397132 0.72 DYRK1A (0.44) LRRK2DYRK1AWNT1CLK2CLK3
SCHEMBL1558709 0.72 NPBWR1 (0.46) TSHRL3MBTL1
SCHEMBL2398394 0.72 DYRK1A (0.47) LRRK2PIM1DYRK1AWNT1CLK2

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 372/4885PIM1 417/4885DYRK1A 360/4885

“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.

Send feedback