SCHEMBL3926258

SCHEMBL3926258

CCC(CC)c1cc(C)nn2c(-c3sc(-c4cccs4)cc3C)c(C)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.56
CRHR2 Q13324 1/20 0.50
SMPD3 Q9NY59 1/20 0.39
ALDH1A1 P00352 10/20 0.35
KDM4E B2RXH2 8/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 9/20 0.35
HSD17B10 Q99714 5/20 0.35
GAA P10253 4/20 0.35
GLA P06280 3/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
RCE1 Q9Y256 1/20 0.34
PDE10A Q9Y233 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL3931628 0.87 CRHR1 (0.55) CRHR1CRHR2SMPD3ALDH1A1KDM4E
SCHEMBL3934051 0.87 CRHR1 (0.56) CRHR1CRHR2SMPD3ALDH1A1KDM4E
SCHEMBL3920647 0.86 CRHR1 (0.56) CRHR1CRHR2SMPD3ALDH1A1KDM4E
SCHEMBL3926239 0.86 CRHR1 (0.56) CRHR1CRHR2SMPD3HTT
SCHEMBL3921459 0.85 CRHR1 (0.55) CRHR1CRHR2SMPD3
SCHEMBL3932248 0.85 CRHR1 (0.52) CRHR1CRHR2SMPD3PDE10A
SCHEMBL3921042 0.84 CRHR1 (0.54) CRHR1CRHR2
Hydrochloric Acid SCHEMBL3931247 0.84 CRHR1 (0.54) CRHR1CRHR2SMPD3
SCHEMBL3923492 0.84 CRHR1 (0.54) CRHR1CRHR2SMPD3ALDH1A1KDM4E
SCHEMBL3925918 0.83 CRHR1 (0.55) CRHR1CRHR2

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.