SCHEMBL30038679

SCHEMBL30038679

COc1cc2c(ncn2C)c(Cl)c1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 2/20 0.34
▸ AMY1A P0DUB6 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PRPS1 P60891 1/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PRNP P04156 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29897018 0.80 MEN1 (0.36) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL30038840 0.79 RECQL (0.43) ALDH1A1SMN1; SMN2PRPS1MEN1KMT2A
SCHEMBL24529684 0.76 NQO2 (0.41) ALDH1A1SMN1; SMN2GLP1RMEN1KMT2A
SCHEMBL34475643 0.76 NQO2 (0.41) ALDH1A1SMN1; SMN2GLP1RMEN1KMT2A
SCHEMBL30040005 0.75 RECQL (0.35) HSP90AA1HSP90AB1SMN1; SMN2MEN1KMT2A
SCHEMBL30038810 0.74 CTSS (0.37) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL30038136 0.74 NQO2 (0.35) HSP90AA1HSP90AB1AMY1AALDH1A1SMN1; SMN2
SCHEMBL34471659 0.72 RECQL (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL24750133 0.70 GRM2 (0.43) ALDH1A1SMN1; SMN2RECQLGAAL3MBTL1
SCHEMBL29938479 0.70 GRM2 (0.43) ALDH1A1SMN1; SMN2RECQLGAAL3MBTL1

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-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-07-25 — — US disclosed
EP-4329750-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 — — EP disclosed
WO-2022232320-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 — — 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-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS HSP90AA1 1742/4885HSP90AB1 1463/4885AMY1A 2492/4885

“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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