SCHEMBL5077823

SCHEMBL5077823

COCNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.61
▸ ESR2 Q92731 1/20 0.56
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC8 Q9BY41 2/20 0.46
▸ PRMT5 O14744 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ WDR77 Q9BQA1 3/20 0.42

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
SCHEMBL1365222 0.96 ESR2 (0.62) NR1H2ESR2HDAC6HDAC8PRMT5
SCHEMBL31553384 0.89 NR1H2 (0.70) NR1H2ESR2HDAC6HDAC8PRMT5
SCHEMBL25110311 0.85 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8LMNA
SCHEMBL29589913 0.85 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8KDM4E
SCHEMBL2277894 0.85 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8KDM4E
SCHEMBL6165588 0.84 ESR2 (0.65) NR1H2ESR2HDAC6HDAC8PRMT5
SCHEMBL31553409 0.84 ESR2 (0.67) NR1H2ESR2HDAC6HDAC8KDM4E
SCHEMBL31553363 0.84 ESR2 (0.67) NR1H2ESR2HDAC6HDAC8KDM4E
SCHEMBL19692691 0.82 HTT (0.49) HDAC6SMN1; SMN2LMNAHDAC1HTT
SCHEMBL29373737 0.82 NR1H2 (0.70) NR1H2ESR2HDAC6HDAC8KDM4E

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
US-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 — — US disclosed
EP-1945222-B1 PYRROLO[2,1-F] [1,2,4]-TRIAZIN-4-YLAMINES AS IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer Pharma AG (DE) 2012-12-26 — — EP disclosed
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 — — US disclosed
EP-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 — — EP disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 — — 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-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases IGF1R, FGFR1, IGFBP1 NR1H2 2731/4885ESR2 1232/4885HDAC6 1925/4885

“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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