SCHEMBL29698242

SCHEMBL29698242

O=CCc1cc(Br)c2c(c1)C(=O)NCC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 12/20 0.50
▸ PARP11 Q9NR21 9/20 0.50
▸ PARP1 P09874 10/20 0.40
▸ PDPK1 O15530 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ CDK2 P24941 1/20 0.35
▸ F7 P08709 1/20 0.33
▸ F3 P13726 1/20 0.33

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
SCHEMBL22982078 1.00 PARP10 (0.50) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL29698311 0.83 PARP10 (0.51) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL22990374 0.83 PARP10 (0.51) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL22981764 0.83 PARP10 (0.51) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL29698267 0.83 PARP10 (0.51) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL23952300 0.74 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL23951998 0.74 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL22982047 0.74 PARP10 (0.56) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL22990298 0.74 PARP10 (0.56) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL24886285 0.74 PARP10 (0.56) PARP10PARP11PARP1PDPK1ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109072-A GPR84 antagonist and preparation method and application thereof 武汉人福创新药物研发中心有限公司 2022-09-27 — — CN disclosed
WO-2022194267-A1 GPR84 ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-09-22 — — WO disclosed
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 — — US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 — — EP 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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 PARP10 512/4885PARP11 326/4885PARP1 1292/4885

“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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