Sugi Predict

Sugi Predict / Compounds / SCHEMBL1429618

SCHEMBL1429618

SCHEMBL1429618

COc1ccc2c(c1)c(C=O)c(-c1c(C)nn(C)c1C)n2CCNCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ CCNE2 O96020 2/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ PRKACG P22612 2/20 0.39
▸ PRKACB P22694 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CAMK2B Q13554 2/20 0.39
▸ CAMK2G Q13555 2/20 0.39
▸ CAMK2D Q13557 2/20 0.39
▸ CAMK2A Q9UQM7 2/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PIK3CA P42336 4/20 0.36
▸ MTOR P42345 4/20 0.36

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
SCHEMBL1430174 0.90 POLB (0.41) POLBPTGER4KDM4EHSD17B10PIK3CA
SCHEMBL1429426 0.89 PIK3CA (0.42) POLBPTGER4KDM4EALDH1A1HSD17B10
SCHEMBL8400957 0.86 PTGER4 (0.44) POLBPTGER4KDM4EHSD17B10PIK3CA
SCHEMBL1429335 0.85 POLB (0.43) POLBPTGER4KDM4EALDH1A1SMN1; SMN2
SCHEMBL4327058 0.85 PIK3CA (0.47) POLBPTGER4KDM4EALDH1A1HSD17B10
SCHEMBL8083407 0.81 POLB (0.39) POLBPTGER4KDM4EHSD17B10PIK3CA
SCHEMBL1428608 0.81 PIK3CA (0.49) POLBPTGER4ALDH1A1PIK3CAMTOR
SCHEMBL1429094 0.81 MYLK (0.45) POLBPTGER4KDM4EHSD17B10PIK3CA
SCHEMBL1429475 0.81 PIK3CA (0.44) POLBPTGER4KDM4EALDH1A1HSD17B10
SCHEMBL1429818 0.80 KDM4E (0.43) POLBPTGER4KDM4EALDH1A1PIK3CA

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 6 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-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
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
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
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 (1 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 POLB 4471/4885CCNE2 1662/4885CDK4 306/4885

“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.