SCHEMBL5836224

SCHEMBL5836224

Cn1c(=O)n(C2CCC2)c2ccc(CC#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ DDB1 Q16531 2/20 0.45
▸ CRBN Q96SW2 2/20 0.45
▸ PRKDC P78527 13/20 0.43
▸ PIK3CA P42336 11/20 0.43
▸ MTOR P42345 6/20 0.40
▸ HPD P32754 2/20 0.40
▸ USP14 P54578 1/20 0.37
▸ PGR P06401 1/20 0.37

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
SCHEMBL5838061 0.83 DRD2 (0.49) DRD2SLC6A4DDB1CRBNPRKDC
SCHEMBL5838051 0.83 DRD2 (0.52) DRD2SLC6A4DDB1CRBNPRKDC
SCHEMBL22862859 0.80 POLB (0.49) —
SCHEMBL5836683 0.80 KDM4E (0.50) DRD2SLC6A4DDB1CRBNPRKDC
SCHEMBL6208794 0.72 HPD (0.56) DRD2SLC6A4PRKDCPIK3CAMTOR
SCHEMBL5836181 0.69 HPD (0.53) DRD2SLC6A4PRKDCPIK3CAMTOR
SCHEMBL25406066 0.69 DRD2 (0.51) DRD2SLC6A4DDB1CRBNPRKDC
SCHEMBL5838497 0.69 HPD (0.44) DDB1CRBNPRKDCPIK3CAMTOR
SCHEMBL30733897 0.69 DDB1 (0.40) DRD2SLC6A4DDB1CRBNPRKDC
SCHEMBL20861040 0.68 PIK3CA (0.53) DDB1CRBNPRKDCPIK3CAMTOR

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-7056918-B2 Benzimidazole anti-inflammatory compounds PFIZER, INC. (US) 2006-06-06 — — US disclosed
EP-1370557-B1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2005-11-16 — — EP disclosed
EP-1370557-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS Pfizer Products Inc. (US) 2003-12-17 — — EP disclosed
US-20030092749-A1 Novel benzimidazole anti-inflammatory compounds PFIZER INC. 2003-05-15 — — US disclosed
WO-2002072576-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-09-19 — — 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-20030092749-A1 Novel benzimidazole anti-inflammatory compounds MAPK1, JAK1, CNKSR1 DRD2 4329/4885SLC6A4 4649/4885DDB1 3677/4885

“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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