SCHEMBL23768156

SCHEMBL23768156

CC(=O)NC(C)(C)c1ccc(NC(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 5/20 0.51
▸ ACACB O00763 5/20 0.46
▸ OGA O60502 1/20 0.39
▸ DEGS1 O15121 1/20 0.37
▸ PTK2 Q05397 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21016975 0.83 HCAR3 (0.47) HCAR3ACACBOGADEGS1PTK2
SCHEMBL21016981 0.82 ACACB (0.42) ACACBOGADEGS1PTK2LMNA
SCHEMBL23768085 0.81 POLB (0.51) HCAR3ACACBLMNAL3MBTL1MAPT
SCHEMBL26547631 0.78 HCAR3 (0.51) HCAR3OGADEGS1LMNAPDE10A
SCHEMBL26798707 0.77 HCAR3 (0.50) HCAR3DEGS1LMNAMEN1TP53
SCHEMBL608849 0.75 ACACB (0.44) ACACBOGAPTK2LMNAPOLB
SCHEMBL14808848 0.75 ACACB (0.44) ACACBOGALMNAL3MBTL1MEN1
SCHEMBL27254652 0.73 ACACB (0.54) ACACBMAPTPOLB
SCHEMBL2254246 0.73 ACACB (0.42) ACACBOGAMAPTKMT2AKDM4E
SCHEMBL13312903 0.73 HCAR3 (0.49) HCAR3LMNAMEN1MAPTKMT2A

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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 — — 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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 HCAR3 1016/4885ACACB 4458/4885OGA 3965/4885

“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.

Send feedback