SCHEMBL14313170

SCHEMBL14313170

CC(C)(C)OC(=O)Nn1c(C#N)ccc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 7/20 0.44
▸ CTNNB1 P35222 7/20 0.44
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ PREP P48147 2/20 0.39

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
SCHEMBL14312931 0.92 PDE4B (0.44) JAK2JAK1PDE4BHTTPARP1
SCHEMBL5140956 0.81 BCL9 (0.47) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL5140957 0.81 BCL9 (0.47) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL14314308 0.80 SMN1; SMN2 (0.47) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL26602429 0.76 USP30 (0.53) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL15669949 0.76 USP30 (0.53) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL6128873 0.76 USP30 (0.58) ITGB3ITGA2BPDE4BHTTUSP30
SCHEMBL2063483 0.76 USP30 (0.58) ITGB3ITGA2BPDE4BHTTUSP30
SCHEMBL2063481 0.76 USP30 (0.58) ITGB3ITGA2BPDE4BHTTUSP30
SCHEMBL14514789 0.74 ACKR3 (0.56) ITGB3ITGA2BPDE4BHTTNPC1

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 8 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
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
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
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
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
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 BCL9 2590/4885CTNNB1 1939/4885JAK2 41/4885

“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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