SCHEMBL22389474

SCHEMBL22389474

CC(C)(C)Cc1ccccc1OCC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.57
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ MAPT P10636 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CACNA1G O43497 7/20 0.38
▸ CACNA1H O95180 7/20 0.38
▸ CACNA1I Q9P0X4 5/20 0.38

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
SCHEMBL5413155 0.81 L3MBTL1 (0.55) SLC6A2SLC6A4MAPTL3MBTL1ALDH1A1
SCHEMBL22390440 0.81 NTRK1 (0.40) RIPK1MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL10190866 0.79 RIPK1 (0.62) RIPK1SLC6A2MAPTL3MBTL1ALDH1A1
SCHEMBL22957892 0.79 HTT (0.54) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL24180069 0.79 AR (0.47) SLC6A2SLC6A4MAPTL3MBTL1ALDH1A1
SCHEMBL28288419 0.78 MAPT (0.52) SLC6A2SLC6A4MAPTL3MBTL1ALDH1A1
SCHEMBL1690342 0.78 RIPK1 (0.58) RIPK1SLC6A2SLC6A4
SCHEMBL5416008 0.78 SLC6A2 (0.45) SLC6A2SLC6A4MAPTL3MBTL1ALDH1A1
SCHEMBL14486495 0.78 SLC6A2 (0.45) SLC6A2SLC6A4MAPTL3MBTL1ALDH1A1
SCHEMBL7363346 0.78 MAPT (0.46) SLC6A2SLC6A4MAPTL3MBTL1ALDH1A1

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-20200277296-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-03 — — 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-20200277296-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS RIPK1, RIPK4, RIPK3 RIPK1 1/4885SLC6A2 4695/4885SLC6A4 3976/4885

“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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