SCHEMBL3967543

SCHEMBL3967543

CCC(CC)c1cc(C)nn2c(-c3nc4ccc(F)cc4n3C(C)C)c(C)nc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.57
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CRHR2 Q13324 1/20 0.41
GAA P10253 1/20 0.33
RPS6KA5 O75582 1/20 0.32
PDE2A O00408 4/20 0.32
PDE10A Q9Y233 2/20 0.32
BRD4 O60885 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
SCHEMBL3967153 0.92 CRHR1 (0.57) CRHR1CYP11B1CYP11B2CRHR2GAA
SCHEMBL3962437 0.88 CRHR1 (0.59) CRHR1CYP11B1CYP11B2CRHR2RPS6KA5
SCHEMBL3968095 0.82 CRHR1 (0.59) CRHR1CYP11B1CYP11B2CRHR2RPS6KA5
SCHEMBL3965003 0.78 CRHR1 (0.60) CRHR1CYP11B1CYP11B2CRHR2PDE10A
SCHEMBL3967818 0.77 CRHR1 (0.50) CRHR1CRHR2GAAPDE10A
SCHEMBL3962744 0.76 CRHR1 (0.60) CRHR1CRHR2PDE10A
SCHEMBL3965673 0.76 CRHR1 (0.60) CRHR1CRHR2
SCHEMBL13763322 0.76 CRHR1 (0.46) CRHR1CRHR2GAAPDE10A
SCHEMBL3972191 0.76 CRHR1 (0.47) CRHR1CRHR2PDE2APDE10A
SCHEMBL3965066 0.74 CRHR1 (0.56) CRHR1CRHR2PDE10A

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 1/4885CYP11B1 170/4885CYP11B2 179/4885

“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.