SCHEMBL3965291

SCHEMBL3965291

COC(=O)c1cccc2c(Br)c(C)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
NR4A2 P43354 4/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.40
MYC P01106 1/20 0.40
CREBBP Q92793 1/20 0.40
ERAP1 Q9NZ08 1/20 0.39
GLA P06280 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL10547539 0.86 NR4A2 (0.44) KMT2AHTTNR4A2TSHRLMNA
SCHEMBL28258232 0.84 PLK1 (0.50) KMT2AMAPTALDH1A1HSD17B10KDM4E
SCHEMBL3967537 0.84 GAA (0.41) KMT2ATSHRLMNAMAPTALDH1A1
SCHEMBL28259937 0.84 CYSLTR1 (0.43) KMT2ANR4A2ALDH1A1HSD17B10KDM4E
SCHEMBL68630 0.83 LMNA (0.50) KMT2AHTTNR4A2TSHRLMNA
SCHEMBL28853940 0.83 NR4A2 (0.42) KMT2AHTTNR4A2TSHRLMNA
SCHEMBL3966568 0.82 ERAP1 (0.34) KMT2AHTTNR4A2TSHRLMNA
SCHEMBL3966563 0.82 ESR1 (0.40) KMT2ANR4A2TSHRMAPTUSP2
SCHEMBL10550563 0.82 GAA (0.50) KMT2ANR4A2TSHRLMNAMAPT
SCHEMBL10550378 0.79 CYP2C19 (0.48) KMT2ATSHRLMNAMAPTALDH1A1

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 KMT2A 3747/4885HTT 1254/4885NR4A2 124/4885

“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.