SCHEMBL26115121

SCHEMBL26115121

CN1CCCC(N(C)c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
SMO Q99835 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ADRA1A P35348 2/20 0.38
HRH1 P35367 2/20 0.38
ADRA1B P35368 2/20 0.38
LSS P48449 1/20 0.38
MAPK1 P28482 3/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL26115853 0.87 NPSR1 (0.50) KMT2AMEN1SMOTP53MAPK1
SCHEMBL27290190 0.84 KMT2A (0.38) KMT2AMEN1POLBSMOLSS
SCHEMBL24840031 0.84 SIGMAR1 (0.40) KMT2AMEN1POLBADRA1AHRH1
SCHEMBL29189103 0.84 SIGMAR1 (0.40) KMT2AMEN1POLBADRA1AHRH1
SCHEMBL31359742 0.84 SIGMAR1 (0.40) KMT2AMEN1POLBADRA1AHRH1
SCHEMBL25799053 0.79 IL1B (0.43) KMT2ANLRP3LSSTSHRNPSR1
SCHEMBL24840762 0.77 NLRP3 (0.51) POLBNLRP3MAPK1NPSR1
SCHEMBL30108706 0.77 NLRP3 (0.51) POLBNLRP3MAPK1NPSR1
SCHEMBL24840029 0.77 NLRP3 (0.51) POLBNLRP3MAPK1NPSR1
SCHEMBL26114800 0.75 NLRP3 (0.60) KMT2AMEN1POLBNLRP3NPSR1

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-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA DEVELOPMENT CENTER AMERICAS, INC. 2025-11-06 US disclosed
EP-4504733-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2025-02-12 EP disclosed
WO-2023194964-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 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-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 KMT2A 4387/4885MEN1 3679/4885POLB 3830/4885

“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.