SCHEMBL3963675

SCHEMBL3963675

CCC(CC)c1cc(C)nn2c(-c3c(C)nc4c(C(C)=O)cccn34)c(C)nc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.46
CRHR2 Q13324 1/20 0.44
SMPD3 Q9NY59 8/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
POLR1A O95602 4/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
IDO1 P14902 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL3962507 0.91 CRHR1 (0.46) CRHR1CRHR2SMPD3SMN1; SMN2PI4KB
SCHEMBL3971785 0.90 CRHR1 (0.45) CRHR1CRHR2SMPD3SMN1; SMN2PI4KB
SCHEMBL3960400 0.90 CRHR1 (0.46) CRHR1CRHR2SMPD3
SCHEMBL3968103 0.88 CRHR1 (0.43) CRHR1CRHR2SMPD3SMN1; SMN2
SCHEMBL3967917 0.85 CRHR1 (0.51) CRHR1CRHR2SMPD3SMN1; SMN2KMT2A
SCHEMBL13763355 0.83 CRHR1 (0.48) CRHR1CRHR2SMPD3SMN1; SMN2
SCHEMBL3968253 0.83 CRHR1 (0.48) CRHR1CRHR2SMPD3SMN1; SMN2
SCHEMBL3962678 0.83 CRHR1 (0.48) CRHR1CRHR2SMPD3SMN1; SMN2
SCHEMBL3964678 0.83 CRHR1 (0.48) CRHR1CRHR2SMPD3SMN1; SMN2PSEN1
SCHEMBL3966790 0.83 CRHR1 (0.49) 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.