SCHEMBL22867183

SCHEMBL22867183

C=CCc1c(-c2ccnc(OC)c2)cc(F)cc1C(C)(C)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 5/20 0.37
▸ ACVR2A P27037 6/20 0.35
▸ TGFBR1 P36897 2/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ TGFBR2 P37173 5/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ GRM2 Q14416 1/20 0.33

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
SCHEMBL22867010 0.90 ACVR2A (0.39) NLRP3ACVR2ATGFBR1GRM5DYRK1A
SCHEMBL22866864 0.83 PTGDR2 (0.45) NLRP3ACVR2ATGFBR2PDE3BPDE3A
SCHEMBL22867141 0.78 NLRP3 (0.41) NLRP3ACVR2ATGFBR1TGFBR2PDE3B
SCHEMBL22867175 0.73 NLRP3 (0.52) NLRP3
SCHEMBL22867162 0.72 NLRP3 (0.54) NLRP3
SCHEMBL22867009 0.70 NLRP3 (0.36) NLRP3GABRA1
SCHEMBL21646547 0.68 NLRP3 (0.51) NLRP3ACVR2ATGFBR1GRM5DYRK1A
SCHEMBL23762686 0.66 NLRP3 (0.43) NLRP3ACVR2ADYRK1ATGFBR2GABRA1
SCHEMBL22867129 0.66 NLRP3 (0.53) NLRP3ACVR2ATGFBR1GRM5DYRK1A
SCHEMBL23063288 0.65 MAPK13 (0.42) ACVR2ATGFBR1DYRK1ATGFBR2MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002274-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-01-07 — — US 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-20210002274-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 NLRP3 1/4885ACVR2A 4296/4885TGFBR1 1660/4885

“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.

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