SCHEMBL3969946

SCHEMBL3969946

Cc1cc(C(C)C)c(NC(=O)C(C)(C)C)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSP90AB1 P08238 1/20 0.34
ADORA1 P30542 1/20 0.34
LCK P06239 1/20 0.33
CTSL P07711 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
CTSS P25774 1/20 0.33
PTPN13 Q12923 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3926799 0.84 ATM (0.37) GAAL3MBTL1ALDH1A1ATMMEN1
SCHEMBL3966602 0.81 ATM (0.36) GAAL3MBTL1ALDH1A1ATMMEN1
SCHEMBL3965245 0.80 HTT (0.42) GAAL3MBTL1ALDH1A1ATMHTT
SCHEMBL3967355 0.76 L3MBTL1 (0.39) GAAL3MBTL1ALDH1A1ATMMEN1
SCHEMBL3964910 0.73 ADORA1 (0.43) GAAL3MBTL1ALDH1A1HTTKDM4E
SCHEMBL3966666 0.73 L3MBTL1 (0.36) GAAL3MBTL1ALDH1A1ATMMEN1
SCHEMBL27102716 0.72
SCHEMBL3963052 0.71 TMIGD3 (0.38) L3MBTL1ALDH1A1HTTKDM4EADORA1
SCHEMBL4694453 0.70 S1PR1 (0.38) L3MBTL1ALDH1A1ATMMEN1KMT2A
SCHEMBL12310822 0.69 L3MBTL1 (0.57) GAAL3MBTL1ALDH1A1MEN1KMT2A

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 GAA 3781/4885L3MBTL1 4787/4885ALDH1A1 1479/4885

“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.