SCHEMBL29696972

SCHEMBL29696972

Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)cc1C(F)F

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 16/20 0.79
NLRP3 Q96P20 9/20 0.79
TNF P01375 1/20 0.52

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
SCHEMBL25798820 1.00 IL1B (0.79) IL1BNLRP3TNF
SCHEMBL29027415 1.00 IL1B (0.79) IL1BNLRP3TNF
SCHEMBL25797809 0.91 IL1B (0.87) IL1BNLRP3TNF
SCHEMBL25797799 0.89 IL1B (0.82) IL1BNLRP3TNF
SCHEMBL22654826 0.89 IL1B (1.00) IL1BNLRP3TNF
SCHEMBL22654829 0.89 IL1B (1.00) IL1BNLRP3TNF
SCHEMBL22654851 0.89 IL1B (1.00) IL1BNLRP3TNF
SCHEMBL25799056 0.89 NLRP3 (0.69) IL1BNLRP3
SCHEMBL24575326 0.88 IL1B (0.81) IL1BNLRP3TNF
SCHEMBL25798829 0.88 IL1B (0.75) IL1BNLRP3

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-20240391895-A1 PYRIDAZINE-CONTAINING COMPOUND AND MEDICINAL USE THEREOF QINGDAO BORSON TAI TECHNOLOGY CO., LTD. (CN) 2024-11-28 US disclosed
CN-116390914-A Pyridazine-containing compound and medical application thereof 上海拓界生物医药科技有限公司 2023-07-04 CN disclosed
WO-2022135567-A1 PYRIDAZINE-CONTAINING COMPOUND AND MEDICINAL USE THEREOF 上海拓界生物医药科技有限公司 2022-06-30 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-20240391895-A1 PYRIDAZINE-CONTAINING COMPOUND AND MEDICINAL USE THEREOF NLRP3, NLRP1, NOD1 IL1B 6/4885NLRP3 1/4885TNF 441/4885

“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.