SCHEMBL5065731

SCHEMBL5065731

COc1cc2ncn(-c3cc(OC(C)c4ccccc4C)c(C(N)=O)s3)c2cc1OC

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.82
PLK3 Q9H4B4 7/20 0.82
CDK2 P24941 1/20 0.82
IKBKE Q14164 1/20 0.82
NEK2 P51955 1/20 0.61
CYP2C9 P11712 1/20 0.59

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
Gsk-237701A SCHEMBL4034890 0.90 PLK1 (1.00) PLK1PLK3CDK2IKBKENEK2
Gsk-237701A SCHEMBL29644977 0.90 PLK1 (1.00) PLK1PLK3CDK2IKBKENEK2
Gsk-237701A SCHEMBL5065885 0.90 PLK1 (1.00) PLK1PLK3CDK2IKBKENEK2
SCHEMBL4035216 0.88 PLK1 (0.83) PLK1PLK3CDK2IKBKENEK2
SCHEMBL13206495 0.88 PLK1 (0.83) PLK1PLK3CDK2IKBKENEK2
SCHEMBL3259195 0.86 PLK1 (0.80) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL13440184 0.86 PLK1 (0.80) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL14344449 0.85 PLK1 (0.81) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3736969 0.84 PLK1 (0.60) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL14344537 0.83 PLK1 (0.74) PLK1PLK3CDK2IKBKECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074119-A1 Thiophene compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US claimed
EP-1546137-A1 BENZIMIDAZOL-1-YL-THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER SmithKline Beecham Corporation (US) 2005-06-29 EP claimed
WO-2004014899-A1 THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-19 WO claimed
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ANDREWS CLARENCE W 2008-10-30 US disclosed
US-20060074119-A1 Thiophene compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
EP-1546137-A1 BENZIMIDAZOL-1-YL-THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER SmithKline Beecham Corporation (US) 2005-06-29 EP disclosed
WO-2004014899-A1 THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-19 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 (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-20060074119-A1 Thiophene compounds TPMT, ABCB1, CYP3A5 PLK1 2123/4885PLK3 3731/4885CDK2 856/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885PLK3 1224/4885CDK2 61/4885

“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.