SCHEMBL23940253

SCHEMBL23940253

CC(C)(O)CNC(=O)c1nn(C(C)(C)C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
PTGER4 P35408 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR4 Q13639 2/20 0.40
CNR2 P34972 4/20 0.40
ELANE P08246 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
CNR1 P21554 2/20 0.39
CHRM1 P11229 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL23940252 0.85 KDM4E (0.59) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL23940248 0.73 EGFR (0.41) KDM4EMEN1KMT2ACNR2ELANE
SCHEMBL23940202 0.72 LMNA (0.46) KDM4ECNR2ALDH1A1CNR1CHRM1
SCHEMBL20181950 0.70 KDM4E (0.64) KDM4EMEN1KMT2ACNR2ALDH1A1
SCHEMBL23940201 0.70 HDAC1 (0.56) KMT2AALDH1A1POLBHDAC3HDAC1
SCHEMBL22810517 0.69 LMNA (0.46) KDM4ECNR2ALDH1A1CNR1HDAC1
SCHEMBL16341426 0.69 PTGER4 (0.62) KDM4EPTGER4MEN1KMT2ACNR2
SCHEMBL23940218 0.68 ATM (0.58) KDM4EMEN1KMT2AALDH1A1CYP3A4
SCHEMBL26564649 0.67 PDE4A (0.37) KDM4EMEN1KMT2ACNR2ELANE
SCHEMBL21590340 0.67 PRSS1 (0.65) KMT2AALDH1A1POLBHDAC1NAMPT

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 KDM4E 2484/4885HTR3E 2737/4885HTR3B 3050/4885

“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.