SCHEMBL3933602

SCHEMBL3933602

CCC(CC)c1cc(C)nn2c(-c3sc(-c4cccnc4)cc3OC)c(C)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.51
CRHR2 Q13324 1/20 0.46
SMPD3 Q9NY59 4/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
DNMT1 P26358 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PDE2A O00408 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL3923492 0.89 CRHR1 (0.54) CRHR1CRHR2SMPD3KDM4EALDH1A1
SCHEMBL13904165 0.87 CRHR1 (0.52) CRHR1CRHR2SMPD3KDM4EHSD17B10
SCHEMBL3920559 0.87 CRHR1 (0.52) CRHR1CRHR2KDM4EALDH1A1POLB
SCHEMBL3931896 0.85 CRHR1 (0.51) CRHR1CRHR2KDM4EHSD17B10MAPK1
SCHEMBL3932152 0.84 CRHR1 (0.52) CRHR1CRHR2SMPD3PI4KB
SCHEMBL3923319 0.84 CRHR1 (0.60) CRHR1CRHR2SMPD3KDM4EALDH1A1
SCHEMBL3923339 0.83 CRHR1 (0.54) CRHR1CRHR2KDM4EHSD17B10ALDH1A1
SCHEMBL3920526 0.83 CRHR1 (0.49) CRHR1CRHR2SMPD3PDE10APDE5A
SCHEMBL3921099 0.81 CRHR1 (0.55) CRHR1CRHR2SMPD3PI4KB
SCHEMBL3920616 0.81 CRHR1 (0.57) CRHR1CRHR2SMPD3PI4KB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
EP-1869049-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2007-12-26 EP disclosed
WO-2006102194-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-28 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-20080113978-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 CRHR1 1/4885CRHR2 3/4885SMPD3 4435/4885

“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.