SCHEMBL3962703

SCHEMBL3962703

Cc1sc2c(C(C)(C)C)cccc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.35
NPSR1 Q6W5P4 1/20 0.32
ALOX12 P18054 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
SCHEMBL3966479 0.86 CA2 (0.34) CA2GABRA1GABRB2
SCHEMBL21111350 0.78 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10432656 0.77 PSMB8 (0.36) GABRA1GABRB2ALDH1A1
SCHEMBL24422197 0.74 GABRA1 (0.47) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL12395340 0.72 GPR3 (0.50) CA2ALDH1A1TSHRTDP1KIF11
SCHEMBL25278479 0.71 HRH4 (0.34) CA2GABRA1GABRB2ALDH1A1KIF11
SCHEMBL23621472 0.70 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23967782 0.69 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29288722 0.69 POLB (0.46) ALDH1A1TSHRTDP1
SCHEMBL3966265 0.69 FAAH (0.34) CA2GABRA1GABRB2TSHR

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 CA2 2469/4885GABRA1 184/4885GABRB2 316/4885

“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.