SCHEMBL880194

SCHEMBL880194

C(=N/Nc1nc2ccccc2[nH]1)\c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 1.00
▸ GAA P10253 15/20 1.00
▸ KMT2A Q03164 9/20 1.00
▸ NPC1 O15118 8/20 1.00
▸ MEN1 O00255 8/20 1.00
▸ RAB9A P51151 7/20 1.00
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ TDP1 Q9NUW8 5/20 1.00
▸ HTT P42858 4/20 1.00
▸ LMNA P02545 3/20 1.00
▸ MPO P05164 1/20 1.00
▸ GFER P55789 1/20 1.00
▸ MAP4K4 O95819 1/20 1.00
▸ FLT3 P36888 1/20 1.00
▸ SYK P43405 1/20 1.00
▸ MAP4K2 Q12851 1/20 1.00
▸ AURKB Q96GD4 1/20 1.00
▸ CLK4 Q9HAZ1 1/20 1.00
▸ IRAK4 Q9NWZ3 1/20 1.00
▸ MAP3K20 Q9NYL2 1/20 1.00

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
SCHEMBL10280286 0.77 MAPT (1.00) MAPTGAAKMT2ANPC1MEN1
SCHEMBL24629300 0.76 SENP7 (1.00) MAPTGAAKMT2ANPC1MEN1
SCHEMBL27139059 0.76 SENP7 (1.00) MAPTGAAKMT2ANPC1MEN1
SCHEMBL24629292 0.75 GAA (0.75) MAPTGAAKMT2ANPC1MEN1
SCHEMBL27135266 0.75 GAA (0.75) MAPTGAAKMT2ANPC1MEN1
SCHEMBL880193 0.74 GAA (0.71) MAPTGAAKMT2ANPC1MEN1
SCHEMBL880223 0.74 GAA (1.00) MAPTGAAKMT2ANPC1MEN1
SCHEMBL12214431 0.74 SENP7 (0.65) MAPTGAAKMT2ANPC1MEN1
SCHEMBL880473 0.73 MAPT (1.00) MAPTGAAKMT2ANPC1MEN1
SCHEMBL23906527 0.73 MAPT (0.79) MAPTGAAKMT2ANPC1MEN1

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-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 — — US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 — — US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 — — EP disclosed
EP-1802303-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD BIOMEDICAL INST (US) 2011-11-02 — — EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 — — US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 — — 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT MAPT 30/4885GAA 62/4885KMT2A 1570/4885

“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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