SCHEMBL3971459

SCHEMBL3971459

COC(=O)c1cc(C)nn2c(-c3sc4ccc(F)cc4c3C)c(C)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.63
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
SMPD3 Q9NY59 3/20 0.40
CMA1 P23946 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
PLA2G2A P14555 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL3962354 0.88 CRHR1 (0.61) CRHR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3962349 0.87 CRHR1 (0.60) CRHR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3970101 0.86 CRHR1 (0.67) CRHR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3967590 0.82 CRHR1 (0.60) CRHR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3967219 0.81 CRHR1 (0.71) CRHR1KDM4ESMPD3
SCHEMBL3967621 0.80 CRHR1 (0.64) CRHR1
SCHEMBL3967622 0.80 CRHR1 (0.64) CRHR1
SCHEMBL13763356 0.80 CRHR1 (0.64) CRHR1
SCHEMBL3963863 0.78 CRHR1 (0.69) CRHR1KDM4ESMPD3
SCHEMBL3967632 0.77 CRHR1 (1.00) CRHR1KDM4ESMN1; SMN2SMPD3MAPT

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 CRHR1 1/4885ALDH1A1 1479/4885HPGD 756/4885

“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.