SCHEMBL10819643

SCHEMBL10819643

CC(C)(C)C(=O)c1ccnc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.61
GABRD O14764 2/20 0.61
GABRA1 P14867 2/20 0.61
GABRB1 P18505 2/20 0.61
GABRG2 P18507 2/20 0.61
GABRB3 P28472 2/20 0.61
GABRA5 P31644 2/20 0.61
GABRA3 P34903 2/20 0.61
GABRA2 P47869 2/20 0.61
GABRB2 P47870 2/20 0.61
GABRA4 P48169 2/20 0.61
GABRE P78334 2/20 0.61
GABRA6 Q16445 2/20 0.61
GABRG1 Q8N1C3 2/20 0.61
GABRG3 Q99928 2/20 0.61
GABRQ Q9UN88 2/20 0.61
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
NOS3 P29474 4/20 0.44
NOS2 P35228 4/20 0.44

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
SCHEMBL16722814 0.81 KDM5C (0.50) KDM4EKDM5CKDM5BKDM6BKDM4A
SCHEMBL13876012 0.79 ALDH1A1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18212371 0.79 UHRF1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1159738 0.79 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31661275 0.79 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15114397 0.78 TAS1R3 (0.44) KDM4ECA9MAPTKDM5CKDM5B
SCHEMBL13875969 0.78 TAS1R3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27531467 0.77 GABRA1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL6227701 0.77 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30705741 0.76 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
US-8222381-B2 Derivatives of monosaccharides for drug discovery ALCHEMIA LIMITED (AU) 2012-07-17 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 GABRP 1014/4885GABRD 1028/4885GABRA1 362/4885

“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.