SCHEMBL23301166

SCHEMBL23301166

Nc1nnc(-c2cc(F)ccc2O)cc1N1CC2CCC(C1)N2c1cccc(CN2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 8/20 0.46
▸ SMARCA4 P51532 8/20 0.46
▸ PBRM1 Q86U86 10/20 0.41
▸ CHRM4 P08173 3/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 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
SCHEMBL29910839 1.00 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1CHRM4OPRM1
SCHEMBL29943157 0.93 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1OPRM1BRD4
SCHEMBL30797027 0.93 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1OPRM1BRD4
SCHEMBL23301459 0.93 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1OPRM1BRD4
SCHEMBL29910593 0.90 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1CHRM4OPRM1
SCHEMBL23301401 0.90 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1CHRM4OPRM1
SCHEMBL29943546 0.89 SMARCA2 (0.48) SMARCA2SMARCA4PBRM1CHRM4BRD4
SCHEMBL23302058 0.85 SMARCA2 (0.39) SMARCA2SMARCA4PBRM1CHRM4TMEM97
SCHEMBL29910450 0.85 SMARCA2 (0.39) SMARCA2SMARCA4PBRM1CHRM4TMEM97
SCHEMBL23301307 0.85 OPRM1 (0.43) SMARCA2SMARCA4CHRM4OPRM1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER C4 THERAPEUTICS, INC. 2023-01-26 — — US disclosed
US-20230002367-A1 BIFUNCTIONAL COMPOUNDS C4 THERAPEUTICS, INC. 2023-01-05 — — US disclosed
EP-4054724-A1 BIFUNCTIONAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-09-14 — — EP disclosed
WO-2021086785-A1 BIFUNCTIONAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 — — WO disclosed
WO-2021083949-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 — — 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 (2 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-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER SMARCC1, SMARCC2, SMARCA2 SMARCA2 3/4885SMARCA4 11/4885PBRM1 99/4885
US-20230002367-A1 BIFUNCTIONAL COMPOUNDS ITCH, EGFR, MUC1 SMARCA2 3260/4885SMARCA4 3599/4885PBRM1 1119/4885

“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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