SCHEMBL16307343

SCHEMBL16307343

Cc1ccc(-n2cc(-c3cccc(C)c3)nn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.71
▸ CA1 P00915 3/20 0.71
▸ CA5A P35218 3/20 0.71
▸ CA5B Q9Y2D0 3/20 0.71
▸ FLT3 P36888 2/20 0.63
▸ HSD17B1 P14061 1/20 0.60
▸ HSD17B2 P37059 1/20 0.60
▸ KEAP1 Q14145 3/20 0.59
▸ NFE2L2 Q16236 3/20 0.59
▸ CA12 O43570 3/20 0.58
▸ CA9 Q16790 3/20 0.58
▸ PTGS2 P35354 4/20 0.56
▸ PTGS1 P23219 2/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ AURKA O14965 1/20 0.48
▸ STIM1 Q13586 2/20 0.48
▸ ORAI1 Q96D31 2/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL31473217 1.00 CA2 (0.71) CA2CA1CA5ACA5BFLT3
SCHEMBL15040972 0.91 CA2 (0.67) CA2CA1CA5ACA5BFLT3
SCHEMBL14226896 0.89 KEAP1 (0.71) CA2CA1CA5ACA5BFLT3
SCHEMBL28148270 0.87 CA2 (0.57) CA2CA1CA5ACA5BFLT3
SCHEMBL12522541 0.85 FLT3 (0.73) CA2CA1CA5ACA5BFLT3
SCHEMBL31473225 0.84 KEAP1 (0.62) CA2CA1CA5ACA5BFLT3
SCHEMBL13453289 0.83 FLT3 (0.81) CA2CA1CA5ACA5BFLT3
SCHEMBL26803794 0.83 STIM1 (0.69) CA2CA1CA5ACA5BFLT3
SCHEMBL31473222 0.80 KEAP1 (0.64) CA2CA1CA5ACA5BFLT3
SCHEMBL31158277 0.79 FLT3 (0.58) CA2CA1CA5ACA5BFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117342969-A (E) -alpha, beta-unsaturated amide derivative, preparation method and application thereof 昆明理工大学 2024-01-05 — — CN disclosed
US-20230348404-A1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF UNIVERSITÀ DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2023-11-02 — — US disclosed
US-20140371825-A1 ORGANIC METAL COMPLEXES UDC IRELAND LIMITED (IE) 2014-12-18 — — US disclosed
US-20140371825-A1 ORGANIC METAL COMPLEXES UDC IRELAND LIMITED (IE) 2014-12-18 — — 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-20230348404-A1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF ORAI1, SARAF, STIM1 CA2 68/4885CA1 798/4885CA5A 424/4885

“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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