SCHEMBL5076699

SCHEMBL5076699

Nc1ncnn2c(CO)cc(-c3cccc(OCc4ccccc4)c3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 7/20 0.51
▸ IGF1R P08069 11/20 0.50
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ INSR P06213 3/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ LYN P07948 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ MARK3 P27448 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL5076645 0.90 ACVRL1 (0.63) ACVRL1IGF1RPIK3CDPIK3CAPIK3CB
SCHEMBL5077363 0.89 ACVRL1 (0.64) ACVRL1IGF1RPIK3CDPIK3CAPIK3CB
SCHEMBL5080301 0.86 ACVRL1 (0.50) ACVRL1IGF1RPIK3CDPIK3CAPIK3CB
SCHEMBL5076796 0.85 ACVRL1 (0.51) ACVRL1IGF1RPIK3CDPIK3CAPIK3CB
SCHEMBL14531310 0.85 ACVRL1 (0.51) ACVRL1IGF1RPIK3CDPIK3CAPIK3CB
SCHEMBL14313452 0.84 ACVRL1 (0.49) ACVRL1IGF1RPIK3CDPIK3CAPIK3CB
SCHEMBL14312818 0.83 ACVRL1 (0.49) ACVRL1IGF1RPIK3CDPIK3CAPIK3CB
SCHEMBL5080937 0.82 IGF1R (0.49) IGF1RPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14531757 0.82 IGF1R (0.50) ACVRL1IGF1RPIK3CGINSRROCK2
SCHEMBL14312895 0.81 IGF1R (0.49) ACVRL1IGF1RPIK3CGINSRROCK2

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 11 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
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
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
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 ACVRL1 336/4885IGF1R 1/4885PIK3CD 140/4885

“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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