SCHEMBL3966418

SCHEMBL3966418

CCC(CC)c1cc(C)nn2c(-c3sc4cccnc4c3OC)c(C)nc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.56
CRHR2 Q13324 1/20 0.47
SMPD3 Q9NY59 5/20 0.36
PI4KB Q9UBF8 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 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
SCHEMBL3959459 0.89 CRHR1 (0.65) CRHR1CRHR2SMPD3PDE1APDE1B
SCHEMBL3962682 0.87 CRHR1 (0.58) CRHR1CRHR2SMPD3
SCHEMBL3972523 0.87 CRHR1 (0.58) CRHR1CRHR2SMPD3
SCHEMBL3962549 0.85 CRHR1 (0.56) CRHR1CRHR2SMPD3PDE1APDE1B
SCHEMBL3962608 0.84 CRHR1 (0.58) CRHR1CRHR2SMPD3
SCHEMBL3959349 0.83 CRHR1 (0.52) CRHR1CRHR2SMPD3PDE1APDE1B
SCHEMBL13763330 0.78 CRHR1 (0.53) CRHR1CRHR2SMPD3PDE1APDE1B
SCHEMBL3963101 0.77 CRHR1 (0.78) CRHR1CRHR2SMPD3
SCHEMBL3959632 0.77 CRHR1 (0.65) CRHR1CRHR2SMPD3PDE1APDE1B
SCHEMBL3968166 0.76 CRHR1 (0.75) CRHR1CRHR2SMPD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 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-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 CRHR1 1/4885CRHR2 3/4885SMPD3 4456/4885

“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.