SCHEMBL5077363

SCHEMBL5077363

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 6/20 0.64
▸ IGF1R P08069 12/20 0.46
▸ INSR P06213 5/20 0.43
▸ LYN P07948 4/20 0.43
▸ ROCK2 O75116 3/20 0.43
▸ LCK P06239 3/20 0.43
▸ FGFR1 P11362 3/20 0.43
▸ FLT4 P35916 3/20 0.43
▸ KDR P35968 3/20 0.43
▸ FLT3 P36888 3/20 0.43
▸ SRC P12931 3/20 0.43
▸ AURKA O14965 2/20 0.43
▸ CHEK2 O96017 2/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ RPS6KB1 P23443 2/20 0.43
▸ MARK3 P27448 2/20 0.43
▸ CSNK1D P48730 2/20 0.43
▸ BLK P51451 2/20 0.43
▸ NEK2 P51955 2/20 0.43
▸ LIMK1 P53667 2/20 0.43

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 0.97 ACVRL1 (0.63) ACVRL1IGF1RINSRLYNROCK2
SCHEMBL14531310 0.91 ACVRL1 (0.51) ACVRL1IGF1RINSRLYNROCK2
SCHEMBL5076796 0.91 ACVRL1 (0.51) ACVRL1IGF1RINSRLYNROCK2
SCHEMBL5080301 0.90 ACVRL1 (0.50) ACVRL1IGF1RINSRLYNROCK2
SCHEMBL5076699 0.89 ACVRL1 (0.51) ACVRL1IGF1RINSRLYNROCK2
SCHEMBL14313452 0.89 ACVRL1 (0.49) ACVRL1IGF1RINSRLYNROCK2
SCHEMBL14312895 0.87 IGF1R (0.49) ACVRL1IGF1RINSRLYNROCK2
SCHEMBL14313201 0.87 IGF1R (0.49) ACVRL1IGF1RINSRLYNROCK2
SCHEMBL14313448 0.87 ACVRL1 (0.47) ACVRL1IGF1RINSRLYNROCK2
SCHEMBL14312887 0.86 IGF1R (0.49) ACVRL1IGF1RINSRLYNROCK2

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 10 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
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 1/4885INSR 9/4885

“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.

Send feedback