SCHEMBL3930381

SCHEMBL3930381

CCC(CC)c1cc(C)nnc1N

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 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

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
SCHEMBL3920521 0.85 KDM4E (0.30) KDM4EMEN1TDP2NSD2ALDH1A1
SCHEMBL3966316 0.77 POLB (0.34) KDM4EMEN1TDP2NSD2ALDH1A1
SCHEMBL3965046 0.74 HSP90AA1 (0.33)
SCHEMBL3966501 0.68 NOS3 (0.41) KDM4EMEN1TDP2NSD2ALDH1A1
SCHEMBL1259330 0.66
SCHEMBL3965341 0.65 IKBKB (0.38) KDM4EMEN1TDP2NSD2ALDH1A1
SCHEMBL24455093 0.63
SCHEMBL16283741 0.63
SCHEMBL31392440 0.63
SCHEMBL9680817 0.63

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 KDM4E 4385/4885MEN1 1230/4885TDP2 3844/4885
US-20080113978-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 KDM4E 4436/4885MEN1 1192/4885TDP2 3847/4885

“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.