Sugi Predict

Sugi Predict / Compounds / SCHEMBL3967917

SCHEMBL3967917

SCHEMBL3967917

CCC(CC)c1cc(C)nn2c(-c3c(C)nc4c(C)cccn34)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 0.50
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ USP7 Q93009 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMPD3 Q9NY59 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL3966790 0.89 CRHR1 (0.49) CRHR1CRHR2SMPD3
SCHEMBL13763355 0.87 CRHR1 (0.48) CRHR1CRHR2SMN1; SMN2SMPD3
SCHEMBL3964678 0.87 CRHR1 (0.48) CRHR1CRHR2SMN1; SMN2SMPD3PSEN1
SCHEMBL3962678 0.87 CRHR1 (0.48) CRHR1CRHR2SMN1; SMN2SMPD3
SCHEMBL3968253 0.87 CRHR1 (0.48) CRHR1CRHR2SMN1; SMN2SMPD3
SCHEMBL3967184 0.86 CRHR1 (0.51) CRHR1CRHR2SMN1; SMN2ALDH1A1GAA
SCHEMBL3963300 0.86 CRHR1 (0.47) CRHR1CRHR2ALDH1A1GAASMPD3
SCHEMBL3960400 0.85 CRHR1 (0.46) CRHR1CRHR2SMPD3
SCHEMBL3960436 0.85 CRHR1 (0.46) CRHR1CRHR2SMN1; SMN2SMPD3
SCHEMBL3966664 0.85 CRHR1 (0.46) CRHR1CRHR2SMPD3PSEN1PSEN2

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 3/4885SMN1; SMN2 1787/4885

“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.