SCHEMBL22957865

SCHEMBL22957865

CC(C)NCc1cc(F)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.42
▸ SLC6A4 P31645 8/20 0.41
▸ HTR2A P28223 7/20 0.41
▸ CCR5 P51681 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ TMEM97 Q5BJF2 3/20 0.37
▸ SIGMAR1 Q99720 3/20 0.37
▸ MPO P05164 1/20 0.37
▸ CASR P41180 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL22957885 0.87 SLC6A4 (0.39) KCNH2SLC6A4HTR2AALDH1A1PDE2A
SCHEMBL22957866 0.85 HTR2A (0.37) KCNH2SLC6A4HTR2AALDH1A1PDE2A
SCHEMBL14012652 0.84 KCNH2 (0.52) KCNH2SLC6A4HTR2ACCR5ALDH1A1
SCHEMBL15979344 0.83 TACR1 (0.45) SLC6A4SLC6A2SLC6A3
SCHEMBL18588991 0.83 SLC6A4 (0.59) KCNH2SLC6A4HTR2AALDH1A1MPO
SCHEMBL22957691 0.82 NTRK1 (0.44) KCNH2SLC6A4HTR2ACCR5ALDH1A1
SCHEMBL17449715 0.80 KCNH2 (0.41) KCNH2SLC6A4PDE2ATMEM97SIGMAR1
SCHEMBL5768808 0.79 TACR1 (0.50) KCNH2HTR2ATMEM97SIGMAR1SLC6A3
SCHEMBL15073262 0.77 FFAR4 (0.43) KCNH2SLC6A4HTR2AALDH1A1PDE2A
SCHEMBL21600989 0.76 KCNH2 (0.54) KCNH2SLC6A4HTR2AALDH1A1

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
EP-3580220-B1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 — — EP disclosed
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 KCNH2 1920/4885SLC6A4 3049/4885HTR2A 2314/4885

“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.

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