SCHEMBL5067368

SCHEMBL5067368

CC(Oc1cc(-n2cnc3cc(N)ccc32)sc1C(N)=O)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.78
PLK3 Q9H4B4 10/20 0.78
CDK2 P24941 1/20 0.78
IKBKE Q14164 1/20 0.78
CYP2C9 P11712 6/20 0.78
CYP3A4 P08684 8/20 0.73
PIK3CD O00329 1/20 0.66
NUAK1 O60285 1/20 0.66
PDGFRB P09619 1/20 0.66
PIM1 P11309 1/20 0.66
KDR P35968 1/20 0.66
NEK2 P51955 1/20 0.66

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
SCHEMBL6214679 0.91 PLK1 (0.68) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL5067321 0.91 PLK1 (0.68) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3150321 0.90 PLK1 (0.77) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL4839634 0.90 PLK1 (0.89) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL4405042 0.90 PLK1 (0.81) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL14029682 0.88 PLK1 (0.81) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3575332 0.88 PLK1 (0.84) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL13435586 0.88 PLK1 (0.84) PLK1PLK3CDK2IKBKECYP2C9
Gsk-237701A SCHEMBL4034890 0.88 PLK1 (1.00) PLK1PLK3CDK2IKBKECYP2C9
Gsk-237701A SCHEMBL5065885 0.88 PLK1 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074119-A1 Thiophene compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US claimed
US-7465807-B2 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION (US) 2008-12-16 US disclosed
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ANDREWS CLARENCE W 2008-10-30 US disclosed
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ANDREWS CLARENCE W 2008-10-30 US disclosed
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ANDREWS CLARENCE W 2008-10-30 US disclosed
US-20070060576-A1 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION 2007-03-15 US disclosed
US-20070060576-A1 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION 2007-03-15 US disclosed
US-20060074119-A1 Thiophene compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US 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 (3 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-20070060576-A1 Process for preparing benzimidazole thiophenes CYP3A4, TPMT, TYMP PLK1 193/4885PLK3 1161/4885CDK2 88/4885
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.