SCHEMBL3970030

SCHEMBL3970030

Cn1c(I)nc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 1/20 0.41
PCSK9 Q8NBP7 2/20 0.40
GSR P00390 1/20 0.39
PDE2A O00408 3/20 0.39
PDE10A Q9Y233 3/20 0.39
ACSS2 Q9NR19 2/20 0.39
GRM2 Q14416 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37

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
SCHEMBL3967968 0.85 MEN1 (0.44) CYP11B1CYP11B2MEN1HCRTR1KMT2A
SCHEMBL749310 0.78 RAB9A (0.47) MEN1HCRTR1KMT2APDE2APDE10A
SCHEMBL31031662 0.78 MAPT (0.47) MEN1KMT2APDE2APDE10A
SCHEMBL30621949 0.78 CYP11B1 (0.50) CYP11B1CYP11B2MEN1HCRTR1KMT2A
SCHEMBL2634929 0.78 SMN1; SMN2 (0.58) CYP11B1CYP11B2MEN1HCRTR1KMT2A
SCHEMBL28463862 0.78 CYP11B1 (0.50) CYP11B1CYP11B2MEN1HCRTR1KMT2A
SCHEMBL3967675 0.77 CYP11B1 (0.53) CYP11B1CYP11B2PDE2APDE10A
SCHEMBL25080560 0.76 CYP11B1 (0.49) CYP11B1CYP11B2MEN1HCRTR1KMT2A
SCHEMBL13526687 0.75 ACSS2 (0.48) CYP11B1CYP11B2MEN1HCRTR1KMT2A
SCHEMBL3487680 0.74 CYP11B1 (0.47) CYP11B1CYP11B2PCSK9ACSS2GRM2

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 4 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-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 CYP11B1 170/4885CYP11B2 179/4885MEN1 1230/4885

“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.