SCHEMBL3923319

SCHEMBL3923319

CCC(CC)c1cc(C)nn2c(-c3sc(-c4cccnc4)c(C)c3C)c(C)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.60
CRHR2 Q13324 1/20 0.49
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
CYP2E1 P05181 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2A6 P11509 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
HTR6 P50406 1/20 0.32
DYRK1A Q13627 2/20 0.32
GAA P10253 2/20 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
SCHEMBL3923492 0.87 CRHR1 (0.54) CRHR1CRHR2POLBSMN1; SMN2ALDH1A1
SCHEMBL3923339 0.87 CRHR1 (0.54) CRHR1CRHR2POLBSMN1; SMN2ALDH1A1
SCHEMBL3925219 0.86 CRHR1 (0.53) CRHR1CRHR2POLBSMN1; SMN2CYP2E1
SCHEMBL13904165 0.85 CRHR1 (0.52) CRHR1CRHR2POLBSMN1; SMN2ALDH1A1
SCHEMBL3920559 0.85 CRHR1 (0.52) CRHR1CRHR2POLBSMN1; SMN2ALDH1A1
SCHEMBL3933602 0.84 CRHR1 (0.51) CRHR1CRHR2POLBSMN1; SMN2ALDH1A1
SCHEMBL3931896 0.84 CRHR1 (0.51) CRHR1CRHR2POLBSMN1; SMN2ALDH1A1
SCHEMBL3924536 0.82 CRHR1 (0.49) CRHR1CRHR2POLBSMN1; SMN2ALDH1A1
SCHEMBL3931296 0.82 CRHR1 (0.62) CRHR1CRHR2SMPD3
SCHEMBL3968176 0.81 CRHR1 (0.72) CRHR1CRHR2SMPD3

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 6 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
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP 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

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 3/4885POLB 4664/4885

“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.