SCHEMBL22957698

SCHEMBL22957698

CNCc1cc(F)ccc1OCC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 13/20 0.56
▸ HTR2A P28223 11/20 0.56
▸ KCNH2 Q12809 10/20 0.54
▸ NTRK1 P04629 1/20 0.49
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ MCL1 Q07820 1/20 0.43
▸ RIPK1 Q13546 2/20 0.39

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
SCHEMBL22957691 0.84 NTRK1 (0.44) SLC6A4HTR2AKCNH2NTRK1ALDH1A1
SCHEMBL22957694 0.82 MCL1 (0.58) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL22957926 0.81 NTRK1 (0.43) SLC6A4HTR2AKCNH2NTRK1ALDH1A1
SCHEMBL18588991 0.81 SLC6A4 (0.59) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL22957708 0.80 NTRK1 (0.42) SLC6A4HTR2AKCNH2NTRK1ALDH1A1
SCHEMBL29746979 0.80 SLC6A4 (0.66) SLC6A4HTR2AKCNH2NTRK1SLC6A2
SCHEMBL3124150 0.80 SLC6A4 (0.66) SLC6A4HTR2AKCNH2NTRK1SLC6A2
SCHEMBL28613921 0.80 ALDH1A1 (0.44) SLC6A4HTR2AKCNH2NTRK1ALDH1A1
SCHEMBL24180218 0.79 PPARG (0.40) NTRK1ALDH1A1
SCHEMBL22390440 0.79 NTRK1 (0.40) NTRK1ALDH1A1RIPK1

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 SLC6A4 3049/4885HTR2A 2314/4885KCNH2 1920/4885

“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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