SCHEMBL3604117

SCHEMBL3604117

C[C@@H](Oc1cc(-n2cnc3ccc(C#N)cc32)sc1C(=O)O)c1cccc(O[Si](C)(C)C(C)(C)C)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.49
PLK3 Q9H4B4 12/20 0.49
IKBKE Q14164 2/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL3253745 0.94 PLK1 (0.51) PLK1PLK3IKBKECDK2
SCHEMBL13440023 0.94 PLK1 (0.51) PLK1PLK3IKBKECDK2
SCHEMBL3615079 0.90 PLK1 (0.52) PLK1PLK3IKBKECDK2
SCHEMBL3610941 0.88 PLK1 (0.53) PLK1PLK3IKBKECDK2
SCHEMBL3614266 0.87 PLK1 (0.63) PLK1PLK3IKBKECDK2
SCHEMBL3603182 0.85 PLK1 (0.48) PLK1PLK3IKBKECDK2
SCHEMBL3606147 0.84 PLK1 (0.61) PLK1PLK3IKBKECDK2
SCHEMBL13440042 0.84 PLK1 (0.52) PLK1PLK3IKBKECDK2
SCHEMBL3259164 0.84 PLK1 (0.52) PLK1PLK3IKBKECDK2
SCHEMBL3615343 0.83 PLK1 (0.69) PLK1PLK3IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601656-A4 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-11 EP claimed
US-7138412-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US claimed
EP-1601656-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-07 EP claimed
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US claimed
WO-2004080971-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-23 WO claimed
US-7709646-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
EP-1601656-A4 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-11 EP disclosed
US-7138412-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-20060223854-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors QUAN MIMI L 2006-10-05 US disclosed
EP-1601656-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-07 EP disclosed
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
WO-2004080971-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-23 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 (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-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors TFPI, F2, TFPI2 PLK1 974/4885PLK3 1192/4885IKBKE 192/4885
US-20060223854-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors F12, F2, TFPI PLK1 945/4885PLK3 831/4885IKBKE 356/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885PLK3 1025/4885IKBKE 1461/4885

“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.