SCHEMBL22957892

SCHEMBL22957892

CC(C)(C)NCc1ccccc1OCC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.54
▸ PKM P14618 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CACNA1G O43497 11/20 0.44
▸ CACNA1H O95180 11/20 0.44
▸ CACNA1I Q9P0X4 8/20 0.44
▸ ALOX15 P16050 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CACNA1C Q13936 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL22957694 0.85 MCL1 (0.58) PKMCACNA1GCACNA1HCACNA1IMCL1
SCHEMBL24018796 0.81 ALDH1A1 (0.54) MEN1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL13875905 0.81 HTT (0.51) HTTPKMMEN1KMT2ASLC6A2
SCHEMBL24018825 0.81 CACNA1G (0.43) PKMCACNA1GCACNA1HCACNA1IMCL1
SCHEMBL10245660 0.81 HTT (0.57) HTTPKMMEN1KMT2AALOX15
SCHEMBL22957693 0.81 ATM (0.46) CACNA1GCACNA1HCACNA1ISLC6A2SLC6A4
SCHEMBL22389474 0.79 RIPK1 (0.57) HTTMEN1KMT2ACACNA1GCACNA1H
SCHEMBL5413155 0.79 L3MBTL1 (0.55) MEN1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL12201562 0.79 ALDH1A1 (0.59) HTTALDH1A1
SCHEMBL22957643 0.78 HTT (0.48) HTTPKMMEN1KMT2AALOX15

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 HTT 4152/4885PKM 561/4885MEN1 3915/4885

“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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