SCHEMBL2394787

SCHEMBL2394787

Brc1ccc2ncc3c(c(N4CCOCC4)nn3Cc3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ MET P08581 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ PDE10A Q9Y233 2/20 0.39
▸ PTK2 Q05397 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PIK3CA P42336 2/20 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
SCHEMBL2395512 0.89 HTT (0.51) ALDH1A1MAPTHTTKMT2AMAPK1
SCHEMBL1558730 0.89 GAA (0.47) PKMGAAALDH1A1MAPTKMT2A
SCHEMBL1559545 0.81 LMNA (0.42) GAAALDH1A1MAPTHTTKMT2A
SCHEMBL2396102 0.80 GAA (0.40) PKMGAAALDH1A1KMT2AMAPK1
SCHEMBL1559300 0.76 PKM (0.53) PKMGAAALDH1A1MAPTHTT
SCHEMBL2400997 0.76 HRH4 (0.49) ALDH1A1MAPTMAPK1KDM4ELMNA
SCHEMBL12266572 0.72 HTT (0.43) GAAALDH1A1MAPTHTTKMT2A
SCHEMBL1558176 0.71 RECQL (0.46) PKMGAAALDH1A1MAPTHTT
SCHEMBL3117120 0.68 HTT (0.70) ALDH1A1MAPTHTTKMT2AMAPK1
SCHEMBL17579037 0.67 MAPT (0.50) GAAALDH1A1MAPTHTTKMT2A

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 6 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
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
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — WO disclosed
WO-2009155527-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2009-12-23 — — 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 PKM 634/4885GAA 1353/4885ALDH1A1 4549/4885

“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