SCHEMBL23940222

SCHEMBL23940222

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CREBBP Q92793 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BRD4 O60885 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39

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
SCHEMBL23940249 0.85 BRD4 (0.55) CREBBPLMNAALDH1A1HDAC1HDAC2
SCHEMBL23940202 0.83 LMNA (0.46) SMN1; SMN2CREBBPLMNAALDH1A1HDAC1
SCHEMBL23940223 0.82 HDAC1 (0.57) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL23940153 0.82 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1CNR1
SCHEMBL23940243 0.81 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2CREBBPPOLB
SCHEMBL23940144 0.80 CREBBP (0.49) CREBBPLMNAALDH1A1HDAC1HDAC2
SCHEMBL23940236 0.77 CREBBP (0.51) KMT2AMEN1SMN1; SMN2CREBBPLMNA
SCHEMBL15458754 0.75 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2CREBBPLMNA
SCHEMBL3924368 0.75 ALDH1A1 (0.53) LMNAPOLBALDH1A1MAPT
SCHEMBL13209353 0.75 NR4A2 (0.65) KMT2AMEN1SMN1; SMN2LMNAPOLB

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 KMT2A 1521/4885MEN1 3877/4885SMN1; SMN2 2940/4885

“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.