SCHEMBL22862432

SCHEMBL22862432

Cn1c(=O)n(C)c2cc(Cn3cnc(-c4ccccc4)c3C3CC3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ PKM P14618 3/20 0.38
▸ TRIM24 O15164 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ PDE1A P54750 2/20 0.37
▸ PDE1B Q01064 2/20 0.37
▸ PDE1C Q14123 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 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
SCHEMBL29490284 1.00 MAPK14 (0.42) MAPK14SMN1; SMN2ADORA2BRXFP1RAD52
SCHEMBL22862944 0.88 MAPK14 (0.38) MAPK14SMN1; SMN2ALDH1A1PKMTRIM24
SCHEMBL29490287 0.86 POLB (0.45) MAPK14SMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL22862548 0.86 POLB (0.45) MAPK14SMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL24704109 0.85 BACE1 (0.38) MAPK14SMN1; SMN2RXFP1RAD52TRIM24
SCHEMBL29490282 0.85 THRB (0.40) SMN1; SMN2RXFP1ALDH1A1TRIM24POLB
SCHEMBL22862559 0.85 THRB (0.40) SMN1; SMN2RXFP1ALDH1A1TRIM24POLB
SCHEMBL22862776 0.84 TP53 (0.36) MAPK14SMN1; SMN2RXFP1RAD52TRIM24
SCHEMBL22862993 0.82 SIGMAR1 (0.42) SMN1; SMN2RAD52ALDH1A1LMNAHSD17B10
SCHEMBL22862463 0.82 CYP11B1 (0.44) SMN1; SMN2RAD52ALDH1A1MAPK1LMNA

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 765/4885SMN1; SMN2 2633/4885ADORA2B 4579/4885

“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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