SCHEMBL3968095

SCHEMBL3968095

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.59
CRHR2 Q13324 1/20 0.42
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RPS6KA5 O75582 1/20 0.33
MEN1 O00255 1/20 0.33
HCRTR1 O43613 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
SMPD3 Q9NY59 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 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
SCHEMBL3962437 0.92 CRHR1 (0.59) CRHR1CRHR2MAPTMAPK1LMNA
SCHEMBL3967153 0.88 CRHR1 (0.57) CRHR1CRHR2MAPTMAPK1RPS6KA5
SCHEMBL3964509 0.88 CRHR1 (0.47) CRHR1CRHR2MAPTMAPK1LMNA
SCHEMBL3967818 0.87 CRHR1 (0.50) CRHR1CRHR2MAPTMAPK1LMNA
SCHEMBL3963656 0.86 CRHR1 (0.46) CRHR1CRHR2MAPTSMN1; SMN2RPS6KA5
SCHEMBL3965449 0.85 CRHR1 (0.48) CRHR1CRHR2SMN1; SMN2MEN1KMT2A
SCHEMBL3962744 0.84 CRHR1 (0.60) CRHR1CRHR2MAPTMAPK1SMN1; SMN2
SCHEMBL3965003 0.82 CRHR1 (0.60) CRHR1CRHR2MAPTSMN1; SMN2MEN1
SCHEMBL3967543 0.82 CRHR1 (0.57) CRHR1CRHR2RPS6KA5CYP11B1CYP11B2
SCHEMBL3972191 0.81 CRHR1 (0.47) CRHR1CRHR2MAPTMAPK1LMNA

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-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
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 3/4885MAPT 1548/4885

“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.