SCHEMBL5000599

SCHEMBL5000599

O=C(Nc1ccc(Cl)cc1Cc1ccccc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PDK1 Q15118 2/20 0.43
▸ PDK2 Q15119 2/20 0.43
▸ PDK3 Q15120 2/20 0.43
▸ PDK4 Q16654 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GRM5 P41594 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ AR P10275 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL9726820 0.80 MEN1 (0.51) ALOX15CYP3A4MEN1HPGDKMT2A
SCHEMBL10992564 0.77 L3MBTL1 (0.58) ALOX15CYP3A4MEN1HPGDKMT2A
SCHEMBL27461106 0.76 MEN1 (0.57) ALOX15CYP3A4MEN1HPGDKMT2A
SCHEMBL28091743 0.75 PDK1 (0.69) ALOX15CYP3A4HPGDPDK1PDK2
SCHEMBL13713255 0.74 GRM5 (0.56) HSD17B10GRM5MAPT
SCHEMBL16198286 0.74 KDM4E (0.64) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL1139376 0.73 PDK1 (0.51) MEN1KMT2APDK1PDK2PDK3
SCHEMBL15072457 0.73 KMT2A (0.58) MEN1HPGDKMT2AHSD17B10PDK1
SCHEMBL1500946 0.72 PDK1 (0.50) MEN1HPGDKMT2APDK1PDK2
SCHEMBL16983107 0.72 MAPK1 (0.55) MEN1KMT2APDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 — — US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 — — US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 — — EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 — — 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 (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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF ALOX15 4158/4885CYP3A4 3139/4885MEN1 1215/4885

“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.

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