SCHEMBL3920526

SCHEMBL3920526

CCC(CC)c1cc(C)nn2c(-c3sc(-c4nccs4)cc3OC)c(C)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.49
CRHR2 Q13324 1/20 0.47
SMPD3 Q9NY59 7/20 0.36
PDE10A Q9Y233 2/20 0.32
JAK2 O60674 1/20 0.32
LCK P06239 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
PDGFRB P09619 1/20 0.32
FGR P09769 1/20 0.32
KIT P10721 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KIF5B P33176 1/20 0.32

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
SCHEMBL3932248 0.89 CRHR1 (0.52) CRHR1CRHR2SMPD3PDE10AIKBKB
SCHEMBL3931377 0.87 CRHR1 (0.52) CRHR1CRHR2SMPD3PDE10AIKBKB
SCHEMBL13904013 0.87 CRHR1 (0.51) CRHR1CRHR2SMPD3PDE10AIKBKB
SCHEMBL3932344 0.85 CRHR1 (0.49) CRHR1CRHR2SMPD3PDE10AIKBKB
SCHEMBL3923313 0.84 CRHR1 (0.58) CRHR1CRHR2SMPD3PDE10A
SCHEMBL3931257 0.83 CRHR1 (0.48) CRHR1CRHR2SMPD3PDE10AIKBKB
SCHEMBL3919867 0.83 CRHR1 (0.49) CRHR1CRHR2SMPD3PI4KB
SCHEMBL3933602 0.83 CRHR1 (0.51) CRHR1CRHR2SMPD3PDE10API4KB
SCHEMBL3923425 0.82 CRHR1 (0.56) CRHR1CRHR2SMPD3PI4KB
SCHEMBL3932152 0.81 CRHR1 (0.52) CRHR1CRHR2SMPD3PI4KB

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-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
EP-1869049-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2007-12-26 EP disclosed
WO-2006102194-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-28 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-20080113978-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 CRHR1 1/4885CRHR2 3/4885SMPD3 4435/4885

“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.