SCHEMBL3962354

SCHEMBL3962354

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.61
TRPM8 Q7Z2W7 1/20 0.35
SMPD3 Q9NY59 10/20 0.33
KDM4E B2RXH2 3/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PI4KB Q9UBF8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
CMA1 P23946 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
SCHEMBL3971459 0.88 CRHR1 (0.63) CRHR1SMPD3KDM4EPI4KBALDH1A1
SCHEMBL3970101 0.83 CRHR1 (0.67) CRHR1TRPM8SMPD3KDM4EPI4KB
SCHEMBL3962349 0.83 CRHR1 (0.60) CRHR1SMPD3KDM4EPI4KBALDH1A1
SCHEMBL3967590 0.80 CRHR1 (0.60) CRHR1SMPD3KDM4EALDH1A1HPGD
SCHEMBL3967219 0.78 CRHR1 (0.71) CRHR1SMPD3KDM4E
SCHEMBL3967622 0.78 CRHR1 (0.64) CRHR1
SCHEMBL13763356 0.78 CRHR1 (0.64) CRHR1
SCHEMBL3967621 0.78 CRHR1 (0.64) CRHR1
SCHEMBL13763358 0.76 CRHR1 (1.00) CRHR1SMPD3
SCHEMBL3963863 0.76 CRHR1 (0.69) CRHR1SMPD3KDM4E

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 1/4885TRPM8 1428/4885SMPD3 4456/4885

“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.