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Sugi Predict / Compounds / SCHEMBL3966525

SCHEMBL3966525

SCHEMBL3966525

CCC(CC)c1cc(C)nn2c(-c3c(C)sc4c(C(=O)OC)cccc34)c(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.47
▸ CRHR2 Q13324 1/20 0.41
▸ ILK Q13418 1/20 0.34
▸ SMPD3 Q9NY59 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL3965323 0.90 CRHR1 (0.49) CRHR1CRHR2SMPD3ALDH1A1HPGD
SCHEMBL3962535 0.90 CRHR1 (0.49) CRHR1CRHR2SMPD3PI4KB
SCHEMBL3970376 0.90 CRHR1 (0.47) CRHR1CRHR2ALDH1A1KDM4E
SCHEMBL3964026 0.88 CRHR1 (0.47) CRHR1CRHR2
SCHEMBL3965347 0.87 CRHR1 (0.49) CRHR1CRHR2
SCHEMBL3964244 0.83 CRHR1 (0.49) CRHR1CRHR2SMPD3
SCHEMBL3963105 0.83 CRHR1 (0.49) CRHR1CRHR2SMPD3
SCHEMBL3963111 0.83 CRHR1 (0.49) CRHR1CRHR2SMPD3
SCHEMBL4693186 0.83 CRHR1 (0.50) CRHR1CRHR2
SCHEMBL3967523 0.83 CRHR1 (0.50) CRHR1CRHR2

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-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 — — US claimed
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 3/4885ILK 4549/4885

“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.