SCHEMBL3926239

SCHEMBL3926239

CCC(CC)c1cc(C)nn2c(-c3sc(-c4ccncc4)cc3C)c(C)nc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.56
CRHR2 Q13324 1/20 0.50
HTT P42858 1/20 0.32
NTRK1 P04629 2/20 0.32
KIT P10721 2/20 0.32
SRC P12931 2/20 0.32
FLT3 P36888 2/20 0.32
CDC7 O00311 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
ROCK1 Q13464 2/20 0.31
DBF4 Q9UBU7 2/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
SMPD3 Q9NY59 1/20 0.31
TGFBR1 P36897 1/20 0.31
LIMK1 P53667 1/20 0.31
MAPK14 Q16539 1/20 0.30

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
SCHEMBL3934051 0.91 CRHR1 (0.56) CRHR1CRHR2IKBKBCHUKSMPD3
SCHEMBL3920629 0.90 CRHR1 (0.54) CRHR1CRHR2HTTNTRK1KIT
SCHEMBL3922512 0.90 CRHR1 (0.54) CRHR1CRHR2HTTKITFLT3
SCHEMBL3923492 0.90 CRHR1 (0.54) CRHR1CRHR2HTTKITFLT3
SCHEMBL3926806 0.89 CRHR1 (0.65) CRHR1CRHR2SMPD3
SCHEMBL3923260 0.89 CRHR1 (0.54) CRHR1CRHR2KITFLT3
SCHEMBL3921234 0.86 CRHR1 (0.62) CRHR1CRHR2SMPD3
SCHEMBL3926258 0.86 CRHR1 (0.56) CRHR1CRHR2HTTSMPD3
SCHEMBL3921807 0.85 CRHR1 (0.58) CRHR1CRHR2SMPD3
SCHEMBL3921459 0.85 CRHR1 (0.55) CRHR1CRHR2SMPD3TGFBR1

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 3/4885HTT 1088/4885

“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.