SCHEMBL22623975

SCHEMBL22623975

CC(C)(C)[C@H]1CCN(C(=O)c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
EPHX1 P07099 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.49
SLC18A3 Q16572 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL10224144 0.91 KMT2A (0.55) ACHEKMT2AL3MBTL3L3MBTL1KDM4E
SCHEMBL3455469 0.90 ACHE (0.68) ACHEKMT2AMEN1EPHX1L3MBTL3
SCHEMBL22028505 0.87 CHRNB2 (0.56) ACHEKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL21977131 0.85 MEN1 (0.59) KMT2AMEN1SMN1; SMN2KDM4ERAB9A
SCHEMBL23421133 0.83 KMT2A (0.47) ACHEKMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL433828 0.79 ACHE (0.81) ACHEKMT2AMEN1EPHX1L3MBTL3
SCHEMBL18166097 0.79 ACHE (0.81) ACHEKMT2AMEN1EPHX1L3MBTL3
SCHEMBL25946040 0.79 ACHE (0.81) ACHEKMT2AMEN1EPHX1L3MBTL3
SCHEMBL14600511 0.79 HTT (0.66) ACHEKMT2AMEN1NPC1RAB9A
SCHEMBL14593573 0.78 CHRNB2 (0.58) ACHEKMT2AMEN1KDM4EHPGD

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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 ACHE 4786/4885KMT2A 3048/4885MEN1 3757/4885

“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.