SCHEMBL3926799

SCHEMBL3926799

CCC(CC)c1cc(C)nnc1NC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.35
HTT P42858 4/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ADORA1 P30542 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3966602 0.89 ATM (0.36) ATMGAAL3MBTL1HTTRAB9A
SCHEMBL3969946 0.84 GAA (0.50) ATMGAAL3MBTL1HTTMEN1
SCHEMBL3963194 0.82 L3MBTL1 (0.38) ATMGAAL3MBTL1HTTRAB9A
SCHEMBL3921934 0.82 ATM (0.35) ATMGAAL3MBTL1HTTRAB9A
SCHEMBL3967355 0.79 L3MBTL1 (0.39) ATMGAAL3MBTL1HTTRAB9A
SCHEMBL3965245 0.77 HTT (0.42) ATMGAAL3MBTL1HTTRAB9A
SCHEMBL3966666 0.75 L3MBTL1 (0.36) ATMGAAL3MBTL1HTTRAB9A
SCHEMBL4694453 0.72 S1PR1 (0.38) ATML3MBTL1HTTRAB9ASMN1; SMN2
SCHEMBL3964910 0.70 ADORA1 (0.43) GAAL3MBTL1HTTRAB9ASMN1; SMN2
SCHEMBL3963052 0.68 TMIGD3 (0.38) L3MBTL1HTTRAB9ASMN1; SMN2NPC1

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 9 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-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
EP-1869049-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2007-12-26 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO 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 (2 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 ATM 4598/4885GAA 3781/4885L3MBTL1 4787/4885
US-20080113978-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 ATM 4624/4885GAA 3518/4885L3MBTL1 4790/4885

“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.