SCHEMBL1429439

SCHEMBL1429439

COc1ccc2c(c1)c(C=O)c(-c1cncnc1)n2CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.39
HTR6 P50406 4/20 0.38
PTGER4 P35408 1/20 0.36
ALOX5 P09917 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
GRIK2 Q13002 2/20 0.34
GRIK1 P39086 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TNIK Q9UKE5 1/20 0.33
TP53 P04637 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL1429598 0.89 HTR6 (0.40) CYP24A1HTR6PTGER4ALOX5GRIK2
SCHEMBL1429408 0.84 MEN1 (0.45) CYP24A1HTR6PTGER4ALOX5MEN1
SCHEMBL1429120 0.82 CYP24A1 (0.39) CYP24A1HTR6PTGER4ALOX5
SCHEMBL1429050 0.81 PTGER4 (0.43) PTGER4MAOAMAOBGRIK2GRIK1
SCHEMBL1429259 0.80 CYP24A1 (0.41) CYP24A1HTR6PTGER4ALOX5MAPT
SCHEMBL1429255 0.80 PTGS2 (0.43) CYP24A1HTR6PTGER4ALOX5MAPT
SCHEMBL1428891 0.79 HTR6 (0.41) CYP24A1HTR6PTGER4ALOX5MMP2
SCHEMBL1429402 0.79 PIK3CA (0.45) HTR6PTGER4MAOAMAOB
SCHEMBL1429001 0.78 HTR6 (0.40) CYP24A1HTR6PTGER4ALOX5MMP2
SCHEMBL1430049 0.78 HTR6 (0.40) CYP24A1HTR6PTGER4ALOX5

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
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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 (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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 CYP24A1 4043/4885HTR6 581/4885PTGER4 3329/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR CYP24A1 3764/4885HTR6 1256/4885PTGER4 2716/4885

“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.