SCHEMBL5077828

SCHEMBL5077828

CON(C)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.62
ESR2 Q92731 1/20 0.57
GPR119 Q8TDV5 4/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MAPK1 P28482 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
IGF1R P08069 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP30 Q70CQ3 1/20 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
SCHEMBL1365223 0.95 ESR2 (0.63) NR1H2ESR2GPR119HDAC1HDAC6
SCHEMBL13213329 0.90 NR1H2 (0.66) NR1H2ESR2GPR119HDAC1HDAC6
SCHEMBL30301704 0.85 ESR2 (0.67) NR1H2ESR2GPR119HDAC1HDAC6
SCHEMBL30368378 0.85 ESR2 (0.67) NR1H2ESR2GPR119HDAC1HDAC6
SCHEMBL29589913 0.83 NR1H2 (0.67) NR1H2ESR2HDAC1HDAC6MAPK1
SCHEMBL2277894 0.83 NR1H2 (0.67) NR1H2ESR2HDAC1HDAC6MAPK1
SCHEMBL29373737 0.83 NR1H2 (0.70) NR1H2ESR2HDAC1HDAC6MAPK1
SCHEMBL622590 0.83 NR1H2 (0.70) NR1H2ESR2HDAC1HDAC6MAPK1
SCHEMBL14101201 0.83 ESR1 (0.58) NR1H2ESR2HDAC6MAPK1HDAC8
SCHEMBL9257641 0.82 NR1H2 (0.73) NR1H2ESR2GPR119HDAC1HDAC6

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
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
EP-1501803-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-08-13 EP 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
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US 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 NR1H2 2731/4885ESR2 1232/4885GPR119 50/4885

“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.