SCHEMBL22862649

SCHEMBL22862649

Cn1c(=O)n(C)c2cc(Cn3cnc4c(C5CC5)cccc43)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.41
▸ PDE1A P54750 1/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ UBE2N P61088 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ HTR6 P50406 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
SCHEMBL29490228 1.00 PDE2A (0.41) PDE2APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL29490240 0.84 SMN1; SMN2 (0.42) PDE2APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL22862448 0.84 SMN1; SMN2 (0.42) PDE2APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL29490209 0.82 PDE2A (0.42) PDE2APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL22862663 0.82 PDE2A (0.42) PDE2APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL22862657 0.78 CSF1R (0.47) PDE2APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL38653371 0.78 CSF1R (0.47) PDE2APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL22862442 0.77 NTRK1 (0.41) PDE2APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL29490261 0.77 NTRK1 (0.41) PDE2APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL22862432 0.75 MAPK14 (0.42) PDE2APDE1APDE1BPDE1CSMN1; SMN2

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 PDE2A 3561/4885PDE1A 4235/4885PDE1B 4174/4885

“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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