SCHEMBL3707263

SCHEMBL3707263

CCC(CC)c1nc(C(C)(C)C)c(C(C)(C)C)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL3699234 0.85 SCN10A (0.31)
SCHEMBL552478 0.78 KDM4E (0.35)
SCHEMBL13305950 0.76
SCHEMBL552237 0.74
SCHEMBL553021 0.73
SCHEMBL552984 0.73
SCHEMBL553627 0.70
SCHEMBL552641 0.70 KDM4E (0.31)
SCHEMBL552786 0.70 KDM4E (0.31)
SCHEMBL552127 0.70 KDM4E (0.31)

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-2580223-B1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PROD & CHEM (US) 2017-02-08 EP disclosed
US-9018387-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-04-28 US disclosed
US-8680289-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-03-25 US disclosed
EP-2580223-A1 COMPLEXES OF IMIDAZOLE LIGANDS Air Products and Chemicals, Inc. (US) 2013-04-17 EP disclosed
US-20130078391-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-03-28 US disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 US disclosed
WO-2011156699-A1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 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 (2 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-20130078391-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM ADORA3 3461/4885ADORA2A 4328/4885ADORA2B 4508/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM ADORA3 3461/4885ADORA2A 4328/4885ADORA2B 4508/4885

“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.