SCHEMBL20641982

SCHEMBL20641982

Nc1cc(Cl)c2ccc(-n3cccn3)cc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.62
NOTUM Q6P988 1/20 0.47
LRRK2 Q5S007 1/20 0.41
MPO P05164 2/20 0.40
CAPN1 P07384 1/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
MAT2A P31153 1/20 0.38
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 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
SCHEMBL30437703 1.00 NLRP3 (0.62) NLRP3NOTUMLRRK2MPOCAPN1
SCHEMBL20651722 0.80 NLRP3 (0.76) NLRP3NOTUMLRRK2MPOCYP3A4
SCHEMBL20641899 0.79 NLRP3 (0.71) NLRP3NOTUMLRRK2MPOCYP3A4
SCHEMBL25400986 0.78 NOTUM (0.51) NLRP3NOTUMLRRK2CAPN1CYP3A4
SCHEMBL30437871 0.78 NLRP3 (0.55) NLRP3NOTUMLRRK2MPOKDM4E
SCHEMBL30437860 0.77 NLRP3 (0.58) NLRP3NOTUMLRRK2MPOCYP3A4
SCHEMBL20641800 0.77 NLRP3 (0.58) NLRP3NOTUMLRRK2MPOCYP3A4
SCHEMBL20651719 0.75 NLRP3 (0.77) NLRP3LRRK2MPOCYP3A4
SCHEMBL20642043 0.74 NLRP3 (0.55) NLRP3NOTUMLRRK2MPOCYP3A4
SCHEMBL2033116 0.74 NOTUM (0.58) NLRP3NOTUMCAPN1CYP3A4KDM4E

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
US-12171756-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2024-12-24 US disclosed
EP-3652166-B1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2024-11-20 EP disclosed
CN-111793060-B NLRP3 modulators 先天肿瘤免疫公司 2023-06-06 CN disclosed
US-20220257587-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-08-18 US disclosed
US-11344543-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2022-05-31 US disclosed
US-11344543-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2022-05-31 US disclosed
CN-111793060-A NLRP3 modulators 先天肿瘤免疫公司 2020-10-20 CN disclosed
EP-3652166-A1 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2020-05-20 EP disclosed
US-20200129500-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-04-30 US disclosed
CN-110914258-A NLRP3 modulators 先天肿瘤免疫公司 2020-03-24 CN disclosed
WO-2019014402-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2019-01-17 WO disclosed
WO-2019014402-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2019-01-17 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 (4 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-20200129500-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD NLRP3 1/4885NOTUM 4277/4885LRRK2 714/4885
US-20220257587-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD NLRP3 1/4885NOTUM 4270/4885LRRK2 686/4885
US-11344543-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD NLRP3 1/4885NOTUM 4277/4885LRRK2 714/4885
US-12171756-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD NLRP3 1/4885NOTUM 4270/4885LRRK2 686/4885

“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.