SCHEMBL3963141

SCHEMBL3963141

Cc1sc2ccncc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.39
ACHE P22303 2/20 0.36
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
IMPDH2 P12268 1/20 0.34
CYP2A6 P11509 5/20 0.34
ROCK1 Q13464 1/20 0.32
CHUK O15111 2/20 0.32
KIT P10721 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL660127 0.85 KDM4E (0.40) AXLEP300KAT2BKAT8IMPDH2
SCHEMBL31078826 0.81 EP300 (0.39) AXLACHEEP300KAT2BKAT8
SCHEMBL17341871 0.80 ACHE (0.38) AXLACHEEP300KAT2BKAT8
SCHEMBL7448773 0.77 ROCK1 (0.38) AXLACHEEP300KAT2BKAT8
SCHEMBL17340878 0.74 ACHE (0.34) AXLACHEEP300KAT2BKAT8
SCHEMBL19135538 0.74 ACHE (0.38) AXLACHEEP300KAT2BKAT8
SCHEMBL11884982 0.74 CYP2A6 (0.42) AXLACHEEP300KAT2BKAT8
SCHEMBL718497 0.71 GPR3 (0.50) KDM4EALDH1A1GAACASP1HSD17B10
SCHEMBL30799595 0.71 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23059154 0.70 CYP1A2 (0.35) ACHECYP2A6KDM4EALDH1A1HPGD

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 AXL 1429/4885ACHE 2552/4885EP300 1704/4885

“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.