SCHEMBL3930606

SCHEMBL3930606

CCC(CC)c1cc(C)nn2c(-c3sc(N4CCOCC4)nc3I)c(C)nc12

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.80
CRHR2 Q13324 1/20 0.80
SMPD3 Q9NY59 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
AR P10275 2/20 0.32
PIK3CG P48736 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL3925905 0.91 CRHR1 (0.84) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL3931907 0.89 CRHR1 (0.80) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL2929597 0.89 CRHR1 (1.00) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL3923140 0.89 CRHR1 (0.80) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL3933566 0.87 CRHR1 (0.77) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL3920550 0.87 CRHR1 (0.77) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL3923515 0.86 CRHR1 (0.76) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL3931706 0.85 CRHR1 (0.73) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL3922497 0.85 CRHR1 (0.73) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL13614704 0.83 CRHR1 (0.70) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E

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.