SCHEMBL30108758

SCHEMBL30108758

Oc1cc(C(F)(F)F)ccc1-c1nnc(N[C@@H]2CCCNC2)c2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL1B P01584 9/20 0.56
NLRP3 Q96P20 7/20 0.54
CHEK2 O96017 4/20 0.49
CHEK1 O14757 2/20 0.49
KCNH2 Q12809 1/20 0.47
IDH2 P48735 1/20 0.44
TNF P01375 1/20 0.43
PDPK1 O15530 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL24575084 1.00 IL1B (0.56) IL1BNLRP3CHEK2CHEK1KCNH2
SCHEMBL28934266 1.00 IL1B (0.56) IL1BNLRP3CHEK2CHEK1KCNH2
SCHEMBL29275600 0.99 IL1B (0.55) IL1BNLRP3CHEK2CHEK1KCNH2
SCHEMBL29276117 0.99 IL1B (0.55) IL1BNLRP3CHEK2CHEK1KCNH2
SCHEMBL30214109 0.99 IL1B (0.55) IL1BNLRP3CHEK2CHEK1KCNH2
SCHEMBL31057311 0.98 NLRP3 (0.57) IL1BNLRP3CHEK2CHEK1KCNH2
SCHEMBL24575646 0.90 NLRP3 (0.59) IL1BNLRP3CHEK2CHEK1KCNH2
SCHEMBL24575648 0.90 NLRP3 (0.59) IL1BNLRP3CHEK2CHEK1KCNH2
SCHEMBL24575703 0.89 NLRP3 (0.68) IL1BNLRP3CHEK2CHEK1KCNH2
SCHEMBL31057145 0.89 NLRP3 (0.68) IL1BNLRP3CHEK2CHEK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN claimed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP claimed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO claimed
US-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP disclosed
CN-118234711-A Cyclopyridazine compounds 尼科治疗有限公司 2024-06-21 CN disclosed
EP-4375274-A1 ANNULATED PYRIDAZINE COMPOUND Nico Therapeutics, Inc. (US) 2024-05-29 EP disclosed
CN-116969920-A Fused pyridazine derivative, preparation method and medical application thereof 上海辉启生物医药科技有限公司 2023-10-31 CN disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
WO-2023003002-A1 ANNULATED PYRIDAZINE COMPOUND アステラス製薬株式会社 2023-01-26 WO disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN 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-20240262806-A1 INHIBITORS OF NLRP3 NLRP3, NOD1, NLRP1 IL1B 10/4885NLRP3 1/4885CHEK2 4518/4885

“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.