SCHEMBL14313103

SCHEMBL14313103

Nc1ncnn2c(CCCCN3CCS(=O)(=O)CC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 8/20 0.43
▸ PIK3CD O00329 5/20 0.38
▸ INSR P06213 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ MERTK Q12866 1/20 0.33
▸ MET P08581 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33

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
SCHEMBL14313101 0.93 ACVRL1 (0.45) ACVRL1PIK3CDINSRIGF1RMERTK
SCHEMBL14312894 0.92 ACVRL1 (0.45) ACVRL1PIK3CDINSRIGF1RMERTK
SCHEMBL14312731 0.92 ACVRL1 (0.46) ACVRL1INSRIGF1RMERTKMET
SCHEMBL14312657 0.90 ACVRL1 (0.44) ACVRL1PIK3CDINSRIGF1RMERTK
SCHEMBL14312626 0.90 ACVRL1 (0.51) ACVRL1PIK3CDMERTK
SCHEMBL14313950 0.90 ACVRL1 (0.44) ACVRL1INSRIGF1RMERTKMET
SCHEMBL14312946 0.89 ACVRL1 (0.44) ACVRL1PIK3CDINSRIGF1RMERTK
SCHEMBL14312666 0.89 ACVRL1 (0.45) ACVRL1INSRIGF1RMERTKMET
SCHEMBL14312451 0.88 ACVRL1 (0.42) ACVRL1PIK3CDINSRIGF1RMERTK
SCHEMBL14312638 0.88 ACVRL1 (0.43) ACVRL1PIK3CDINSRIGF1RMERTK

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-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
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 336/4885PIK3CD 140/4885INSR 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.

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