SCHEMBL22862437

SCHEMBL22862437

Cn1nnc2ccc(Cn3cnc(C4CC4)c3-c3ccccc3Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.40
▸ SLC6A4 P31645 1/20 0.38
▸ PDE2A O00408 7/20 0.38
▸ PDE10A Q9Y233 3/20 0.38
▸ HTT P42858 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ DPP4 P27487 2/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SLC9A1 P19634 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ PDE6D O43924 1/20 0.35
▸ PDE6A P16499 1/20 0.35
▸ PDE6G P18545 1/20 0.35
▸ PDE6B P35913 1/20 0.35
▸ PDE6C P51160 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ PDE6H Q13956 1/20 0.35
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL22862467 0.86 HTT (0.43) CDK9PDE2APDE10AHTTLMNA
SCHEMBL22862433 0.85 CDK9 (0.40) CDK9SLC6A4PDE2APDE10AHTT
SCHEMBL22862544 0.84 PDE2A (0.41) PDE2APDE10AHTTLMNADPP4
SCHEMBL29490210 0.82 POLB (0.49) PDE2AHTTLMNAPOLBPDE1B
SCHEMBL22862827 0.82 CYP11B1 (0.40) SLC6A4PDE2APDE10AHTTLMNA
SCHEMBL22862547 0.82 POLB (0.49) PDE2AHTTLMNAPOLBPDE1B
SCHEMBL29490170 0.82 CYP11B1 (0.40) SLC6A4PDE2APDE10AHTTLMNA
SCHEMBL22862829 0.78 AKT1 (0.39) SLC6A4HTTLMNADPP4CYP11B1
SCHEMBL29490180 0.78 AKT1 (0.39) SLC6A4HTTLMNADPP4CYP11B1
SCHEMBL24704178 0.76 HDAC1 (0.35) HTTLMNADPP4POLBCYP11B1

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 CDK9 1373/4885SLC6A4 4820/4885PDE2A 3561/4885

“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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