SCHEMBL31134634

SCHEMBL31134634

Cc1ccc(S(=O)(=O)O)cc1.Cc1nn(C2CCC(=O)NC2=O)c2cccc(N3CCNCC3)c12

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.45
▸ CRBN Q96SW2 7/20 0.40
▸ DDB1 Q16531 6/20 0.40
▸ HTR2C P28335 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
SCHEMBL31134471 0.90 DDB1 (0.47) HTR6CRBNDDB1
SCHEMBL31134549 0.80 CRBN (0.49) HTR6CRBNDDB1HTR2C
SCHEMBL31712330 0.77 CRBN (0.43) HTR6CRBNDDB1
SCHEMBL31134557 0.76 DDB1 (0.50) CRBNDDB1
SCHEMBL31342208 0.76 CRBN (0.40) CRBNDDB1
Trifluoroacetic Acid SCHEMBL31727208 0.75 CRBN (0.37) CRBNDDB1
SCHEMBL31134502 0.74 CRBN (0.63) CRBNDDB1
SCHEMBL31342558 0.73 IKZF2 (0.40) CRBNDDB1
SCHEMBL29767993 0.72 CRBN (0.50) CRBNDDB1
SCHEMBL29079566 0.72 CRBN (0.50) CRBNDDB1

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
EP-4688149-A1 IRAK4 PROTACS Astrazeneca AB (SE) 2026-02-11 — — EP disclosed
US-20240374588-A1 IRAK4 PROTACS ASTRAZENECA AB (SE) 2024-11-14 — — US disclosed
WO-2024209044-A1 IRAK4 PROTACS ASTRAZENECA AB (SE) 2024-10-10 — — 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-20240374588-A1 IRAK4 PROTACS IRAK4, IRAK2, IRAK3 HTR6 3147/4885CRBN 99/4885DDB1 728/4885

“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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