SCHEMBL3962437

SCHEMBL3962437

CCC(CC)c1cc(C)nn2c(-c3nc4ccc(F)cc4n3C)c(C)nc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.59
CRHR2 Q13324 1/20 0.42
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RPS6KA5 O75582 1/20 0.33
PDE10A Q9Y233 4/20 0.33
PDE2A O00408 3/20 0.33
GSR P00390 1/20 0.31
SMPD3 Q9NY59 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
SCHEMBL3968095 0.92 CRHR1 (0.59) CRHR1CRHR2CYP11B1CYP11B2LMNA
SCHEMBL3967543 0.88 CRHR1 (0.57) CRHR1CRHR2CYP11B1CYP11B2RPS6KA5
SCHEMBL3972191 0.88 CRHR1 (0.47) CRHR1CRHR2LMNAMAPTTSHR
SCHEMBL3967818 0.87 CRHR1 (0.50) CRHR1CRHR2LMNAMAPTMAPK1
SCHEMBL13763322 0.86 CRHR1 (0.46) CRHR1CRHR2LMNAMAPTTSHR
SCHEMBL3965449 0.85 CRHR1 (0.48) CRHR1CRHR2SMN1; SMN2
SCHEMBL3965003 0.84 CRHR1 (0.60) CRHR1CRHR2CYP11B1CYP11B2MAPT
SCHEMBL3962744 0.82 CRHR1 (0.60) CRHR1CRHR2MAPTMAPK1SMN1; SMN2
SCHEMBL3967153 0.82 CRHR1 (0.57) CRHR1CRHR2CYP11B1CYP11B2MAPT
SCHEMBL3964509 0.81 CRHR1 (0.47) CRHR1CRHR2LMNAMAPTTSHR

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 8 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-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
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
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 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 1/4885CRHR2 3/4885CYP11B1 170/4885

“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.