SCHEMBL3965341

SCHEMBL3965341

CCCc1cc(C)nnc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.38
NOS2 P35228 4/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
TLR8 Q9NR97 3/20 0.35
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DHFR P00374 4/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
BACE1 P56817 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
SCHEMBL4689649 0.86 TLR8 (0.49) TLR8
SCHEMBL4695774 0.85 TLR8 (0.47) TLR8ALDH1A1MEN1MAPTKMT2A
SCHEMBL3966501 0.83 NOS3 (0.41) IKBKBNOS2NOS3NOS1KDM4E
SCHEMBL12668094 0.78 IKBKB (0.33) IKBKBNOS2NOS3NOS1
SCHEMBL4750165 0.75 IKBKB (0.35) IKBKB
SCHEMBL1259330 0.67
SCHEMBL6250872 0.67 KDM4E (0.65) IKBKBKDM4EALDH1A1MEN1POLB
SCHEMBL3920521 0.67 KDM4E (0.30) KDM4EALDH1A1MEN1TDP2NSD2
SCHEMBL23245930 0.67 DHFR (0.38) NOS2NOS3NOS1TLR8KDM4E
SCHEMBL21358990 0.67 NOS2 (0.40) NOS2NOS3TLR8KDM4EPOLB

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 IKBKB 1833/4885NOS2 3271/4885NOS3 3895/4885

“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.