SCHEMBL3965046

SCHEMBL3965046

CCC(CC)c1cc(C(F)(F)F)nnc1N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CA2 P00918 1/20 0.32
CHKA P35790 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
SCHEMBL20091075 0.77 IRAK4 (0.33)
SCHEMBL3930381 0.74 KDM4E (0.32)
SCHEMBL17688749 0.70 HSP90AA1 (0.44) HSP90AA1HSP90AB1CA2CHKA
SCHEMBL3963194 0.69 L3MBTL1 (0.38)
SCHEMBL1022676 0.67 CA2 (0.39) HSP90AA1HSP90AB1CA2CHKA
SCHEMBL16235040 0.66 CA2 (0.38) HSP90AA1HSP90AB1CA2CHKA
SCHEMBL16235200 0.66 KDM4E (0.37) HSP90AA1HSP90AB1CA2CHKA
SCHEMBL20091003 0.64 IRAK4 (0.33)
SCHEMBL21859841 0.63 NR1I2 (0.34)
SCHEMBL20349163 0.62 GABRB3 (0.33)

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 HSP90AA1 2147/4885HSP90AB1 2336/4885CA2 2469/4885

“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.