SCHEMBL22862775

SCHEMBL22862775

Cn1c(=N)n(C)c2cc(Cn3cnc(C4CC4)c3-c3ccc(F)cc3F)ccc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ GRM2 Q14416 3/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ CDK9 P50750 2/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ WDR5 P61964 1/20 0.30

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
SCHEMBL22862941 0.90 CYP11B2 (0.38) CYP11B2KDM4ELMNAHTTRAD52
SCHEMBL22862770 0.85 KDM4E (0.33) CYP11B2KDM4EALDH1A1PDE1CGRM2
SCHEMBL22862773 0.83 CYP11B2 (0.38) CYP11B2KDM4ELMNAHTTRAD52
SCHEMBL22862945 0.75 RAD52 (0.38) CYP11B2KDM4ELMNAHTTRAD52
SCHEMBL22862994 0.75 KDM4E (0.37) CYP11B2KDM4EALDH1A1PDE1CGRM2
SCHEMBL29490250 0.74 THRB (0.40) CYP11B2KDM4ELMNAHTTRAD52
SCHEMBL22862584 0.74 THRB (0.40) CYP11B2KDM4ELMNAHTTRAD52
SCHEMBL22862547 0.72 POLB (0.49) LMNAHTTRAD52ALDH1A1PDE1C
SCHEMBL29490210 0.72 POLB (0.49) LMNAHTTRAD52ALDH1A1PDE1C
SCHEMBL22862639 0.71 POLB (0.42) LMNAHTTDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — US disclosed
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 CYP11B2 935/4885KDM4E 4111/4885LMNA 537/4885

“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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