SCHEMBL2396102

SCHEMBL2396102

CCOc1ccc(-c2ccc3ncc4c(c(N5CCOCC5)nn4Cc4ccccc4)c3c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ATM Q13315 10/20 0.40
▸ MTOR P42345 8/20 0.40
▸ PIK3CA P42336 7/20 0.40
▸ ATR Q13535 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PIK3CD O00329 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
SCHEMBL1558730 0.81 GAA (0.47) GAAPKMALDH1A1MEN1KMT2A
SCHEMBL2394787 0.80 PKM (0.47) GAAPKMMTORPIK3CAALDH1A1
SCHEMBL2396779 0.76 LRRK2 (0.47) ATMMTORPIK3CAATRALDH1A1
SCHEMBL2395512 0.72 HTT (0.51) ALDH1A1KMT2ATSHRMAPK1CYP2C19
SCHEMBL2400997 0.71 HRH4 (0.49) ALDH1A1TSHRMAPK1LMNA
SCHEMBL30359524 0.62 ATM (0.55) ATMMTORPIK3CAATRPIK3CD
SCHEMBL21541745 0.62 ATM (0.55) ATMMTORPIK3CAATRPIK3CD
SCHEMBL24089043 0.61 ATM (0.47) ATMMTORPIK3CAATRPIK3CD
SCHEMBL1559545 0.61 LMNA (0.42) GAAATMALDH1A1MEN1KMT2A
SCHEMBL3080066 0.61 LRRK2 (0.52) GAAATMMTORPIK3CAATR

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 3 patents. 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
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — WO 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 GAA 1353/4885PKM 634/4885ATM 604/4885

“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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