SCHEMBL23940245

SCHEMBL23940245

COCCNC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.83
KDM4E B2RXH2 4/20 0.67
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 1/20 0.62
NR4A2 P43354 1/20 0.62
LMNA P02545 2/20 0.62
KMT2A Q03164 2/20 0.57
MITF O75030 1/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
HDAC3 O15379 1/20 0.55
CREBBP Q92793 1/20 0.53
HPGD P15428 2/20 0.53
ABL1 P00519 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
RIN1 Q13671 1/20 0.53

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
SCHEMBL4104715 0.87 ALDH1A1 (0.64) ALDH1A1KDM4EHDAC1HDAC2NR4A2
SCHEMBL23940243 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHDAC1HDAC2KMT2A
SCHEMBL23940250 0.82 BRD4 (0.71) ALDH1A1HDAC1HDAC2NR4A2LMNA
SCHEMBL9157388 0.82 HDAC1 (0.61) ALDH1A1KDM4EHDAC1HDAC2NR4A2
SCHEMBL23940148 0.82 HDAC1 (0.65) ALDH1A1HDAC1HDAC2NR4A2LMNA
SCHEMBL442523 0.81 ALDH1A1 (0.57) ALDH1A1HDAC1HDAC2LMNAKMT2A
SCHEMBL8999213 0.80 EGFR (0.60) ALDH1A1KDM4EHDAC1HDAC2NR4A2
SCHEMBL28968558 0.80 HDAC1 (0.58) ALDH1A1HDAC1HDAC2NR4A2LMNA
SCHEMBL27249579 0.80 LMNA (0.64) ALDH1A1KDM4EHDAC1HDAC2NR4A2
SCHEMBL4253166 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHDAC1HDAC2NR4A2

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 ALDH1A1 2637/4885KDM4E 2484/4885HDAC1 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.