SCHEMBL2396779

SCHEMBL2396779

CCOc1ccc(-c2ccc3ncc4[nH]nc(N5CCOCC5)c4c3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.47
▸ MTOR P42345 7/20 0.44
▸ ATM Q13315 7/20 0.44
▸ PIK3CA P42336 7/20 0.44
▸ ATR Q13535 5/20 0.44
▸ ATRIP Q8WXE1 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ HIF1A Q16665 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ BCL2 P10415 1/20 0.40

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
SCHEMBL1557547 0.77 PRKDC (0.48) LRRK2PIK3CAALDH1A1MAPK1MEN1
SCHEMBL2396102 0.76 GAA (0.40) MTORATMPIK3CAATRALDH1A1
SCHEMBL13362122 0.73 PRKDC (0.44) LRRK2PIK3CAALDH1A1MAPK1MEN1
SCHEMBL1558799 0.71 MTOR (0.46) LRRK2MTORATMPIK3CAATR
SCHEMBL2398692 0.70 CNR2 (0.48) LRRK2ATRMAPK1
SCHEMBL1558859 0.68 DGAT1 (0.45) LRRK2MAPK1
SCHEMBL17916960 0.67 LRRK2 (0.63) LRRK2
SCHEMBL21541745 0.66 ATM (0.55) MTORATMPIK3CAATRPIK3CD
SCHEMBL30359524 0.66 ATM (0.55) MTORATMPIK3CAATRPIK3CD
SCHEMBL24089043 0.65 ATM (0.47) MTORATMPIK3CAATRPIK3CD

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 2 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
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 LRRK2 372/4885MTOR 26/4885ATM 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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