SCHEMBL23940202

SCHEMBL23940202

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CREBBP Q92793 1/20 0.46
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
BRD4 O60885 2/20 0.40
CHRM1 P11229 1/20 0.39
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PTPN7 P35236 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38

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 0.86 BRD4 (0.55) LMNACREBBPHDAC1HDAC2BRD4
SCHEMBL23940201 0.85 HDAC1 (0.56) LMNAHDAC1HDAC2BRD4ALDH1A1
SCHEMBL22810517 0.84 LMNA (0.46) LMNACREBBPHDAC1HDAC2BRD4
SCHEMBL23940222 0.83 KMT2A (0.47) LMNACREBBPHDAC1HDAC2BRD4
SCHEMBL23940243 0.82 ALDH1A1 (0.59) CREBBPHDAC1HDAC2KDM4EALDH1A1
SCHEMBL23940144 0.81 CREBBP (0.49) LMNACREBBPHDAC1HDAC2KDM4E
SCHEMBL23940135 0.80 HTR3A (0.45) NAMPTCNR1CNR2
SCHEMBL23940153 0.78 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2CNR1CNR2
SCHEMBL23940236 0.78 CREBBP (0.51) LMNACREBBPKDM4EALDH1A1SMN1; SMN2
SCHEMBL15458754 0.76 SMN1; SMN2 (0.51) LMNACREBBPBRD4KDM4EALDH1A1

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 LMNA 4049/4885CREBBP 1002/4885HDAC1 714/4885

“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.