SCHEMBL22390440

SCHEMBL22390440

CC(C)(C)Cc1cc(F)ccc1OCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RIPK1 Q13546 2/20 0.39
▸ NR3C1 P04150 8/20 0.37
▸ NR3C2 P08235 3/20 0.37
▸ MRGPRX1 Q96LB2 2/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL22389474 0.81 RIPK1 (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12775726 0.81 KDM4E (0.45) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL24180218 0.81 PPARG (0.40) NTRK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3291252 0.80 MAPT (0.46) NTRK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL22957698 0.79 SLC6A4 (0.56) NTRK1ALDH1A1RIPK1
SCHEMBL14409249 0.76 SSTR4 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22957691 0.76 NTRK1 (0.44) NTRK1ALDH1A1RIPK1MRGPRX1CYP1A2
SCHEMBL22391953 0.75 RIPK1 (0.61) RIPK1
SCHEMBL13020830 0.74 IDO1 (0.43) NTRK1RIPK1NR3C1NR3C2
SCHEMBL16425423 0.74 IDO1 (0.36) RIPK1NR3C1NR3C2

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 NTRK1 610/4885ALDH1A1 3187/4885MAPT 3459/4885

“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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