SCHEMBL3064875

SCHEMBL3064875

Cn1ncc(O)c(-c2nn(-c3ccc(C(F)(F)F)cc3)cc2Br)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
AADAT Q8N5Z0 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP2 O95551 1/20 0.33
NOTUM Q6P988 1/20 0.33
NTRK1 P04629 1/20 0.32
FLT3 P36888 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ATM Q13315 1/20 0.32
NPBWR1 P48145 2/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 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
SCHEMBL3063527 0.88 CTSS (0.36) SRCBRAFKDRAADATADORA3
SCHEMBL3056461 0.85 HTR2A (0.40) SRCBRAFKDRAADATADORA3
SCHEMBL3061674 0.73 PDE10A (0.38) SRCBRAFKDRAADATADORA3
SCHEMBL3064869 0.73 NPC1 (0.41) ADORA3PTGS2CA12CA1CA2
SCHEMBL3662000 0.71 CTSS (0.36) SRCBRAFKDRAADATADORA3
SCHEMBL28816224 0.70 NOTUM (0.45) SRCBRAFKDRAADATADORA3
SCHEMBL3057381 0.66 NPBWR1 (0.40) HTR2AHTR2CTDP2NPBWR1MCHR1
SCHEMBL17970897 0.63 ATM (0.51) SRCBRAFKDRAADATADORA3
SCHEMBL20956637 0.63 MEN1 (0.55) SRCKDRHTR2AXDH
SCHEMBL919079 0.62 BRD9 (0.34) PTGS2

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
EP-2225211-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES DU PONT (US) 2013-10-02 EP disclosed
US-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 US disclosed
EP-2225211-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-09-08 EP disclosed
WO-2009086041-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-09 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-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES CYP1A1, CYP1B1, CBR3 SRC 2971/4885BRAF 1991/4885KDR 2235/4885

“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.