SCHEMBL1558730

SCHEMBL1558730

c1ccc(Cn2nc(N3CCOCC3)c3c4cc(N5CCOCC5)ccc4ncc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TMEM97 Q5BJF2 3/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ ADRA2B P18089 2/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ BRD4 O60885 7/20 0.44
▸ MET P08581 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PRKDC P78527 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ STAT6 P42226 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
SCHEMBL2394787 0.89 PKM (0.47) GAAPKMMETALDH1A1TSHR
SCHEMBL2396102 0.81 GAA (0.40) GAAPKMALDH1A1TSHRPRKDC
SCHEMBL2395512 0.78 HTT (0.51) ALDH1A1TSHRHRH1KDM4EMAPT
SCHEMBL2400997 0.76 HRH4 (0.49) ALDH1A1TSHRHRH1KDM4EMAPT
SCHEMBL1557547 0.69 PRKDC (0.48) METALDH1A1PRKDCKDM4EMAPT
SCHEMBL1559299 0.69 PKM (0.40) GAAPKMTMEM97SIGMAR1ADRA2A
SCHEMBL1559545 0.68 LMNA (0.42) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL13362119 0.65 MAPT (0.48) METALDH1A1KDM4EMAPTSTAT6
SCHEMBL13362122 0.65 PRKDC (0.44) METALDH1A1PRKDCKDM4EMEN1
SCHEMBL16610911 0.64 TSHR (0.41) GAAPKMTMEM97SIGMAR1ADRA2A

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
EP-2303890-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS Progenics Pharmaceuticals, Inc. (US) 2011-04-06 — — EP 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 GAA 1353/4885PKM 634/4885TMEM97 1409/4885

“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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