SCHEMBL23940223

SCHEMBL23940223

CC(C)CNC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 1/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.56
NR4A2 P43354 1/20 0.56
KMT2A Q03164 2/20 0.55
MITF O75030 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.52
HTT P42858 1/20 0.51
BRD4 O60885 1/20 0.51
MEN1 O00255 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL23940250 0.84 BRD4 (0.71) HDAC1HDAC2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23940222 0.82 KMT2A (0.47) HDAC1HDAC2ALDH1A1SMN1; SMN2LMNA
SCHEMBL28968558 0.81 HDAC1 (0.58) HDAC1HDAC2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23940152 0.81 ALDH1A1 (0.74) HDAC1HDAC2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6586386 0.80 NR4A2 (0.64) HDAC1HDAC2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4104715 0.80 ALDH1A1 (0.64) HDAC1HDAC2ALDH1A1LMNANR4A2
SCHEMBL23940245 0.79 ALDH1A1 (0.83) HDAC1HDAC2ALDH1A1LMNANR4A2
SCHEMBL23940201 0.79 HDAC1 (0.56) HDAC1HDAC2ALDH1A1SMN1; SMN2LMNA
SCHEMBL1093252 0.79 BRD4 (0.69) HDAC1HDAC2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23940148 0.78 HDAC1 (0.65) HDAC1HDAC2ALDH1A1LMNANR4A2

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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 HDAC1 714/4885HDAC2 327/4885ALDH1A1 2637/4885

“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.