SCHEMBL22957643

SCHEMBL22957643

CC(C)(C)NCc1ccccc1OC(F)(F)C(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR8 P51685 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MCL1 Q07820 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
VNN1 O95497 1/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 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
SCHEMBL13875905 0.85 HTT (0.51) HTTPKMMEN1KMT2AKCNH2
SCHEMBL22957673 0.84 MCL1 (0.49) PKMCCR8KCNH2MCL1MAPT
SCHEMBL22957679 0.81 ATM (0.42) CCR8KCNH2MAPTALDH1A1ATM
SCHEMBL22957783 0.81 HTT (0.50) HTTPKMMEN1KMT2AALOX15
SCHEMBL22957892 0.78 HTT (0.54) HTTPKMMEN1KMT2AALOX15
SCHEMBL12201562 0.76 ALDH1A1 (0.59) HTTMAPTALDH1A1ATML3MBTL1
SCHEMBL22957772 0.76 HTT (0.51) HTTPKMMEN1KMT2AKCNH2
SCHEMBL10245660 0.75 HTT (0.57) HTTPKMMEN1KMT2AALOX15
SCHEMBL8089375 0.75 KCNH2 (0.39) HTTMEN1KMT2ACCR8KCNH2
SCHEMBL22957780 0.74 HTT (0.54) 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.