SCHEMBL22862944

SCHEMBL22862944

Cn1c(=O)n(C)c2cc(Cn3cnc(-c4cc(F)cc(F)c4)c3C3CC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PARG Q86W56 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ TRIM24 O15164 1/20 0.33
▸ POLB P06746 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
SCHEMBL22862432 0.88 MAPK14 (0.42) MAPK14KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL29490284 0.88 MAPK14 (0.42) MAPK14KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL22862994 0.85 KDM4E (0.37) MAPK14KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL22862777 0.85 KDM4E (0.37) MAPK14ALOX5KDM4ESMN1; SMN2TSHR
SCHEMBL29490282 0.85 THRB (0.40) ALOX5KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL22862559 0.85 THRB (0.40) ALOX5KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL22862945 0.84 RAD52 (0.38) MAPK14ALOX5KDM4ESMN1; SMN2TSHR
SCHEMBL24704109 0.81 BACE1 (0.38) MAPK14SMN1; SMN2TSHRTP53LMNA
SCHEMBL22862548 0.80 POLB (0.45) MAPK14SMN1; SMN2TSHRL3MBTL1LMNA
SCHEMBL29490287 0.80 POLB (0.45) MAPK14SMN1; SMN2TSHRL3MBTL1LMNA

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 MAPK14 765/4885ALOX5 2912/4885KDM4E 4111/4885

“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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