SCHEMBL3963656

SCHEMBL3963656

CCC(CC)c1cc(C)nn2c(-c3nc4cc(OC)ccc4n3C)c(C)nc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.46
CRHR2 Q13324 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACSS2 Q9NR19 1/20 0.38
RPS6KA5 O75582 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GFER P55789 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL13763322 0.92 CRHR1 (0.46) CRHR1CRHR2MAPTALDH1A1SMN1; SMN2
SCHEMBL3968095 0.86 CRHR1 (0.59) CRHR1CRHR2MAPTSMN1; SMN2RPS6KA5
SCHEMBL3964509 0.86 CRHR1 (0.47) CRHR1CRHR2TDP1MAPTALDH1A1
SCHEMBL3967818 0.85 CRHR1 (0.50) CRHR1CRHR2MAPTALDH1A1SMN1; SMN2
SCHEMBL3965449 0.83 CRHR1 (0.48) CRHR1CRHR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3972191 0.80 CRHR1 (0.47) CRHR1CRHR2TDP1MAPTSMN1; SMN2
SCHEMBL3962437 0.80 CRHR1 (0.59) CRHR1CRHR2MAPTSMN1; SMN2RPS6KA5
SCHEMBL3959431 0.77 CRHR1 (0.48) CRHR1CRHR2TDP1MAPTALDH1A1
SCHEMBL3965673 0.76 CRHR1 (0.60) CRHR1CRHR2SMN1; SMN2KDM4E
SCHEMBL3973051 0.76 CRHR1 (0.46) CRHR1CRHR2ALDH1A1KDM4E

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 1/4885CRHR2 3/4885TDP1 2966/4885

“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.