SCHEMBL22862545

SCHEMBL22862545

Cc1nc2ccc(Cn3cnc(-c4ccccc4Cl)c3C3CC3)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 10/20 0.41
▸ PDE10A Q9Y233 3/20 0.41
▸ PDE6D O43924 1/20 0.38
▸ PDE6A P16499 1/20 0.38
▸ PDE6G P18545 1/20 0.38
▸ PDE6B P35913 1/20 0.38
▸ PDE6C P51160 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ PDE6H Q13956 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ MCHR1 Q99705 1/20 0.35
▸ DCTPP1 Q9H773 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL22862450 0.89 PDE2A (0.40) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL22862469 0.85 CYP11B1 (0.39) PDE2APDE10ADPP4LMNAALDH1A1
SCHEMBL22862544 0.85 PDE2A (0.41) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL22862433 0.84 CDK9 (0.40) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL29490287 0.83 POLB (0.45) PDE2APDE1BDCTPP1LMNAALDH1A1
SCHEMBL22862548 0.83 POLB (0.45) PDE2APDE1BDCTPP1LMNAALDH1A1
SCHEMBL22862443 0.77 AKT1 (0.33) PDE2APDE10AMCHR1HTTCYP11B2
SCHEMBL29490176 0.75 HDAC1 (0.35) PDE10ADPP4
SCHEMBL22862466 0.75 HDAC1 (0.35) PDE10ADPP4
SCHEMBL22862640 0.72 SMN1; SMN2 (0.41) DPP4LMNAHTTSMN1; SMN2POLB

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 3 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
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP 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 3561/4885PDE10A 3700/4885PDE6D 4033/4885

“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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