SCHEMBL3610941

SCHEMBL3610941

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.53
PLK3 Q9H4B4 13/20 0.53
IKBKE Q14164 2/20 0.50
CDK2 P24941 1/20 0.50
PIK3CD O00329 1/20 0.47
NUAK1 O60285 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
KDR P35968 1/20 0.47
NEK2 P51955 1/20 0.47
CYP2C9 P11712 1/20 0.45

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
SCHEMBL13440007 0.93 PLK1 (0.54) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL3248810 0.93 PLK1 (0.54) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL3253849 0.89 PLK1 (0.57) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL3604117 0.88 PLK1 (0.49) PLK1PLK3IKBKECDK2
SCHEMBL3610376 0.88 PLK1 (0.55) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL3601523 0.86 PLK1 (0.53) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL3616188 0.85 PLK1 (0.68) PLK1PLK3IKBKECDK2PIM1
SCHEMBL3610704 0.85 PLK1 (0.55) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL3606147 0.85 PLK1 (0.61) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL3599390 0.84 PLK1 (0.54) PLK1PLK3IKBKECDK2CYP2C9

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
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 US disclosed
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed
CN-101448824-A 2,5-disubstituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2009-06-03 CN disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
EP-1896481-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed
WO-2006128852-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 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 (5 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-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885IKBKE 1298/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885IKBKE 1298/4885
US-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 PLK1 3524/4885PLK3 1363/4885IKBKE 3258/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885PLK3 1025/4885IKBKE 1461/4885
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 PLK1 3762/4885PLK3 993/4885IKBKE 487/4885

“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.