SCHEMBL20907971

SCHEMBL20907971

Nc1nsc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL9713156 0.72 ADORA3 (0.31) ADORA3ADORA2AADORA2BADORA1
SCHEMBL20907799 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11459820 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13129985 0.68 CNR2 (0.31) ALDH1A1
SCHEMBL24228122 0.63 TSHR (0.43) ALDH1A1HSP90AA1HSP90AB1
SCHEMBL6003419 0.63 TSHR (0.43) ALDH1A1HSP90AA1HSP90AB1
SCHEMBL1884589 0.62 ALDH1A1 (0.34) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL4463921 0.61
SCHEMBL4104582 0.61
SCHEMBL367014 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020227020-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2020-11-12 WO disclosed
US-10653681-B2 Analgesic compounds RECURIUM IP HOLDINGS, LLC (US) 2020-05-19 US disclosed
US-20190111031-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2019-04-18 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 (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-20190111031-A1 ANALGESIC COMPOUNDS OPRK1, OPRL1, OPRM1 ALDH1A1 113/4885ADORA3 371/4885ADORA2A 243/4885
US-10653681-B2 Analgesic compounds OPRK1, OPRL1, OPRM1 ALDH1A1 113/4885ADORA3 371/4885ADORA2A 243/4885

“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.