SCHEMBL5137202

SCHEMBL5137202

Brc1ccc2cn(CC3CCCCC3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KCNH2 Q12809 1/20 0.37
MAPK8 P45983 3/20 0.37
HTR7 P34969 2/20 0.36
RORC P51449 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
GRM2 Q14416 1/20 0.35
KDM2B Q8NHM5 2/20 0.34
CNR1 P21554 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CCR1 P32246 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL19279762 0.93 HTR7 (0.38) NPC1RAB9AHTR7ADORA3GRM2
SCHEMBL3384042 0.81 CRHR1 (0.38) NPC1RAB9AHTR7ADORA3GRM2
SCHEMBL28947339 0.76 BACE1 (0.32)
SCHEMBL26151149 0.75 FPR2 (0.47)
SCHEMBL3389492 0.75 ALDH1A1 (0.50) NPC1RAB9AKCNH2ADORA3CRHR1
SCHEMBL17678027 0.75 CRHR1 (0.38) NPC1RAB9AKDM2BCRHR1
SCHEMBL30995477 0.75 CRHR1 (0.42) GRM2CRHR1
SCHEMBL28609235 0.74 HTT (0.39) KCNH2ADORA3KDM2B
SCHEMBL5141165 0.74 NPC1 (0.35) NPC1RAB9AADORA3
SCHEMBL25153641 0.73 NOTUM (0.41) NPC1RAB9A

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
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

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 NPC1 3913/4885RAB9A 3694/4885KCNH2 3232/4885

“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.