SCHEMBL3869313

SCHEMBL3869313

O=C(c1ccccc1)c1sc(NCc2ccco2)nc1-c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 1.00
ADORA1 P30542 14/20 1.00
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ADORA3 P0DMS8 1/20 0.53

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
SCHEMBL13936074 0.90 ADORA2A (0.81) ADORA2AADORA1ADORA3
SCHEMBL8239026 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL5296063 0.85 ADORA2A (0.74) ADORA2AADORA1ADORA3
SCHEMBL3868200 0.85 ADORA2A (0.74) ADORA2AADORA1ADORA3
SCHEMBL3874454 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL8246126 0.83 ADORA2A (0.88) ADORA2AADORA1ADORA3
SCHEMBL13936118 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL3869046 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL1256007 0.82 ADORA2A (0.77) ADORA2AADORA1ADORA3
SCHEMBL3868203 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102176-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-09-23 EP disclosed
US-20090005568-A1 Substituted 2-aminothiazoles for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-01 US disclosed
US-20090005568-A1 Substituted 2-aminothiazoles for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-01 US disclosed
US-20090005568-A1 Substituted 2-aminothiazoles for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-01 US disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed
WO-2007022415-A2 SUBSTITUTED 2-AMINOTHIAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 WO disclosed
WO-2007022415-A2 SUBSTITUTED 2-AMINOTHIAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 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-20090005568-A1 Substituted 2-aminothiazoles for treating neurodegenerative diseases ADORA2A, ADORA1, PARK7 ADORA2A 1/4885ADORA1 2/4885ALDH1A1 511/4885

“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.