SCHEMBL3086598

SCHEMBL3086598

FC(F)(F)c1ccc2nc(Cl)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 5/20 0.36
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
SCN5A Q14524 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL13050473 0.84 PDE10A (0.39) AHRALDH1A1PDE10AKDM4ESMN1; SMN2
SCHEMBL1243656 0.80 ALDH1A1 (0.45) AHRALDH1A1PDE10AKDM4ESMN1; SMN2
SCHEMBL17232815 0.80 DYRK1A (0.49) AHRALDH1A1PDE10AKDM4ESMN1; SMN2
SCHEMBL756100 0.78 KDM4E (0.50) AHRALDH1A1PDE10AKDM4ESMN1; SMN2
SCHEMBL17234784 0.76 PDE10A (0.40) AHRPDE10AKDM4EDRD2DRD4
SCHEMBL22958080 0.76 AHR (0.35) AHRALDH1A1PDE10AKDM4ESMN1; SMN2
SCHEMBL17229829 0.76 MCHR1 (0.38) AHRPDE10AKDM4EPTGS1PTGS2
SCHEMBL21033315 0.75 PTGS1 (0.41) AHRALDH1A1PDE10AKDM4EPTGS1
SCHEMBL30845789 0.74 TGFBR1 (0.43) ALDH1A1KDM4E
SCHEMBL3086869 0.73 KDM4E (0.44) AHRALDH1A1PDE10AKDM4ESMN1; SMN2

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-1930331-B1 METHOD FOR PRODUCING IMIDAZO[1,2-b]PYRIDAZINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-03-13 EP disclosed
US-8334379-B2 Process for producing imidazo[1,2-b]pyridazine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-18 US disclosed
US-20100234597-A1 PROCESS FOR PRODUCING IMIDAZO[1,2-b]PYRIDAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
EP-1930331-A1 METHOD FOR PRODUCING IMIDAZO[1,2-b]PYRIDAZINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-06-11 EP 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-20100234597-A1 PROCESS FOR PRODUCING IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CYP1B1, CYP4Z1, CYP2J2 AHR 715/4885ALDH1A1 409/4885PDE10A 2514/4885

“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.