SCHEMBL22957673

SCHEMBL22957673

CNCc1ccccc1OC(F)(F)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
SLC6A4 P31645 11/20 0.46
HTR2A P28223 5/20 0.46
SLC6A2 P23975 7/20 0.46
SLC6A3 Q01959 6/20 0.46
KCNH2 Q12809 5/20 0.44
CCR8 P51685 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL3130662 0.84 MCL1 (0.53) MCL1ALDH1A1PKMSLC6A4HTR2A
SCHEMBL22957643 0.84 HTT (0.48) MCL1ALDH1A1PKMKCNH2CCR8
SCHEMBL22957679 0.84 ATM (0.42) ALDH1A1KCNH2CCR8POLBGAA
SCHEMBL12852529 0.77 MCL1 (0.53) MCL1ALDH1A1PKMSLC6A4HTR2A
SCHEMBL8089375 0.77 KCNH2 (0.39) ALDH1A1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL8095035 0.77 KCNH2 (0.37) ALDH1A1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL2164875 0.75 TSHR (0.39) ALDH1A1KCNH2CCR8POLBGAA
SCHEMBL30881973 0.75 TSHR (0.39) ALDH1A1KCNH2CCR8POLBGAA
SCHEMBL22957694 0.75 MCL1 (0.58) MCL1ALDH1A1PKMSLC6A4HTR2A
SCHEMBL6151984 0.73 SLC6A4 (0.66) SLC6A4HTR2ASLC6A2SLC6A3KCNH2

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 MCL1 1442/4885ALDH1A1 4194/4885PKM 561/4885

“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.