SCHEMBL3962872

SCHEMBL3962872

CCC(CC)c1cc(C(F)(F)F)nn2cc(C)nc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CRHR1 P34998 2/20 0.37
CRHR2 Q13324 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
PPARA Q07869 1/20 0.30

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
SCHEMBL3923233 0.83 CRHR1 (0.37) LMNAKDM4ECRHR1CRHR2HSP90AA1
SCHEMBL3924161 0.82 CRHR1 (0.41) LMNAKDM4ECRHR1CRHR2ALDH1A1
SCHEMBL3965847 0.76 CRHR1 (0.53) LMNAKDM4ECRHR1CRHR2ALDH1A1
SCHEMBL3962787 0.73 CRHR1 (0.38) LMNAKDM4ECRHR1CRHR2
SCHEMBL3923464 0.71 SMPD3 (0.36) KDM4ECRHR1CRHR2ALDH1A1HPGD
SCHEMBL3926787 0.68 CRHR1 (0.43) KDM4ECRHR1CRHR2
SCHEMBL3964600 0.67 CRHR1 (0.34) CRHR1CRHR2ALDH1A1
SCHEMBL26768263 0.65 KDM4E (0.38) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25481897 0.64 KDM4E (0.40) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3959800 0.64 ALDH1A1 (0.40) LMNAKDM4EALDH1A1HPGDHSD17B10

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 LMNA 4643/4885KDM4E 4385/4885CRHR1 1/4885

“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.