SCHEMBL22982047

SCHEMBL22982047

Nc1cc(Br)c2c(c1)C(=O)NCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 9/20 0.56
▸ PARP11 Q9NR21 6/20 0.56
▸ PARP1 P09874 8/20 0.47
▸ CDC7 O00311 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ RAF1 P04049 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ MAP2K1 Q02750 3/20 0.39
▸ CDK5 Q00535 3/20 0.39
▸ CDK5R1 Q15078 3/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ CCNB2 O95067 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCNB3 Q8WWL7 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ ABL1 P00519 1/20 0.39

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
SCHEMBL29698189 1.00 PARP10 (0.56) PARP10PARP11PARP1CDC7ACHE
SCHEMBL24147834 0.82 CLK4 (0.53) PARP10PARP11PARP1CDC7MAP2K1
SCHEMBL30197872 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL29144293 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHEPDPK1
SCHEMBL29698302 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL23951998 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL23952300 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL24886285 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL22990298 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL30019767 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHEPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242073-A PRMT5 inhibitors and uses thereof 海思科医药集团股份有限公司 2023-12-15 — — CN 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
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 — — WO disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 — — WO disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 — — 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-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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