SCHEMBL22957652

SCHEMBL22957652

CC(C)NC(C)c1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.44
KCNK9 Q9NPC2 3/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A4 P31645 5/20 0.37
HTR2A P28223 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.35
EGFR P00533 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
KCNH2 Q12809 2/20 0.34
GAA P10253 1/20 0.34
CASR P41180 1/20 0.34
SLC6A2 P23975 2/20 0.33
P2RY2 P41231 1/20 0.33
P2RY1 P47900 1/20 0.33

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
SCHEMBL24018774 1.00 KCNK3 (0.44) KCNK3KCNK9CA1CA2ACHE
SCHEMBL22957654 0.87 KCNK3 (0.42) KCNK3KCNK9CA1CA2ACHE
SCHEMBL24018814 0.84 SLC6A4 (0.53) KCNK3KCNK9CA1CA2ACHE
SCHEMBL22957675 0.82 KCNK3 (0.39) KCNK3KCNK9CA1CA2ACHE
SCHEMBL807278 0.80 KCNK3 (0.52) KCNK3KCNK9CA1CA2SLC6A4
SCHEMBL8593107 0.80 CA1 (0.56) KCNK3KCNK9CA1CA2ACHE
SCHEMBL21882592 0.77 KCNK3 (0.43) KCNK3KCNK9SLC6A4EGFRPPARG
SCHEMBL24779813 0.77 KCNK3 (0.43) KCNK3KCNK9SLC6A4HPGDSMN1; SMN2
SCHEMBL10192275 0.77 KCNK3 (0.43) KCNK3KCNK9SLC6A4PPARGPPARD
SCHEMBL5924730 0.77 KCNK3 (0.43) KCNK3KCNK9SLC6A4PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 KCNK3 398/4885KCNK9 359/4885CA1 4488/4885

“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.