SCHEMBL29899375

SCHEMBL29899375

CCOC(=O)Cn1nc(C2CC2)c(O)c(Br)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL25332258 0.77 KDM4E (0.42) KDM4EGAACYP2C19CYP2C9CYP1A2
SCHEMBL24076898 0.77 GAA (0.49) KDM4EGAACYP2C19CYP2C9CYP1A2
SCHEMBL29899415 0.76 ALDH1A1 (0.46) KDM4EGAACYP2C19CYP2C9MAPK1
SCHEMBL25746202 0.74 GAA (0.51) KDM4EGAACYP2C19CYP2C9CYP1A2
SCHEMBL24077023 0.72 MAPK8 (0.49) KDM4EGAACYP2C19CYP2C9CYP1A2
SCHEMBL23792573 0.72 MAPK1 (0.40) KDM4EGAACYP2C19CYP2C9L3MBTL1
SCHEMBL29899373 0.72 ALDH1A1 (0.44) KDM4EGAACYP2C19CYP2C9MAPK1
SCHEMBL14488238 0.71 MAPK1 (0.40) KDM4ECYP2C19MAPK1GSK3AGSK3B
SCHEMBL23793626 0.71 CYP2C19 (0.40) KDM4EGAACYP2C19CYP2C9MAPK1
SCHEMBL25333499 0.71 CYP2C19 (0.41) KDM4EGAACYP2C19CYP2C9CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109905-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 US disclosed
EP-4301753-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 Janssen Pharmaceutica NV (BE) 2024-01-10 EP disclosed
WO-2022184842-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2022-09-09 WO 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-20240109905-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 NLRP3, NLRP1, PYCARD KDM4E 2109/4885GAA 3344/4885CYP2C19 1954/4885

“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.