SCHEMBL1036074

SCHEMBL1036074

ON=Cc1ccc(Br)c2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.46
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CACNA1B Q00975 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP2A6 P11509 3/20 0.32
CYP3A4 P08684 2/20 0.32
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
ACHE P22303 1/20 0.32
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL1036073 1.00 AXL (0.46) AXLCCNT1CDK9HASPINCCNC
SCHEMBL1034122 0.77 AXL (0.50) AXLCCNT1CDK9HASPINCCNC
SCHEMBL29566353 0.77 AXL (0.50) AXLCCNT1CDK9HASPINCCNC
SCHEMBL2516694 0.77 HPGD (0.46) KDM4ENPC1RAB9AL3MBTL1PLAU
SCHEMBL13249042 0.77 HPGD (0.46) KDM4ENPC1RAB9AL3MBTL1PLAU
SCHEMBL4764881 0.77 CCNC (0.50) AXLCCNT1CDK9HASPINCCNC
SCHEMBL4764878 0.77 CCNC (0.50) AXLCCNT1CDK9HASPINCCNC
SCHEMBL2516696 0.77 HPGD (0.46) KDM4ENPC1RAB9AL3MBTL1PLAU
SCHEMBL13213072 0.77 CCNT1 (0.42) AXLCCNT1CDK9HASPINCCNC
SCHEMBL15716494 0.77 CCNC (0.50) AXLCCNT1CDK9HASPINCCNC

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871941-B2 8-bromo-5-quinolinecarboxaldehyde oxime E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-10-28 US disclosed
US-20140249314-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-04 US disclosed
US-20140038821-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-06 US disclosed
US-8552218-B2 Isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-08 US disclosed
US-20130029845-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
US-8231888-B2 Isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-31 US disclosed
US-20110263641-A1 Isoxazolines For Controlling Invertebrate Pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-27 US disclosed
US-7964204-B2 Isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-21 US disclosed
EP-1973888-B1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2011-01-26 EP disclosed
US-20100234219-A1 Isoxazolines for Controlling Invertebrate Pests CORTEVA AGRISCIENCE LLC 2010-09-16 US disclosed
EP-1973888-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-01 EP disclosed
WO-2007079162-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-12 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 (5 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-20140249314-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 AXL 1045/4885CCNT1 630/4885CDK9 3295/4885
US-20130029845-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 AXL 1045/4885CCNT1 630/4885CDK9 3295/4885
US-20100234219-A1 Isoxazolines for Controlling Invertebrate Pests C1S, C3AR1, CBR3 AXL 1269/4885CCNT1 416/4885CDK9 3180/4885
US-20140038821-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 AXL 1045/4885CCNT1 630/4885CDK9 3295/4885
US-20110263641-A1 Isoxazolines For Controlling Invertebrate Pests C1S, C3AR1, CBR3 AXL 817/4885CCNT1 693/4885CDK9 3443/4885

“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.