SCHEMBL3970053

SCHEMBL3970053

Clc1csc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.40
KDM4E B2RXH2 5/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
CCR1 P32246 2/20 0.40
CCR8 P51685 2/20 0.40
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
BRD4 O60885 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MMP14 P50281 3/20 0.39
MMP9 P14780 2/20 0.39

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
SCHEMBL544974 0.77 KDM4E (0.40) HSP90AA1KDM4ELMNAMAPTCCR1
SCHEMBL9541333 0.75 METAP2 (0.45) HSP90AA1KDM4ELMNAMAPTCCR1
SCHEMBL31167172 0.75 LIMK1 (0.43) HSP90AA1KDM4ELMNAMAPTCCR1
SCHEMBL13857883 0.75 PSMD14 (0.45) HSP90AA1KDM4ELMNAMAPTCCR1
SCHEMBL5183987 0.75 LIMK1 (0.43) HSP90AA1KDM4ELMNAMAPTCCR1
SCHEMBL5182523 0.75 LMNA (0.39) HSP90AA1KDM4ELMNAMAPTCCR1
SCHEMBL8114833 0.75 KDM4E (0.40) HSP90AA1KDM4ELMNAMAPTCCR1
SCHEMBL358917 0.75 L3MBTL1 (0.43) HSP90AA1KDM4ELMNAMAPTCCR1
SCHEMBL23568561 0.72 TRPV4 (0.41) KDM4EMAPTIRAK4ALDH1A1ALOX15
SCHEMBL22430423 0.71 HSP90AA1 (0.35) HSP90AA1KDM4ELMNAMAPTCCR1

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 14 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
EP-0604114-B1 Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 2000-05-03 EP disclosed
EP-0691972-B1 FURO 3,2-b]PYRIDINES AND THIENO 3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 1998-07-01 EP disclosed
EP-0737196-A1 DIARYL 5,6-FUSED HETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1996-10-16 EP disclosed
EP-0691972-A1 FURO 3,2-b]PYRIDINES AND THIENO 3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-01-17 EP disclosed
US-5472964-A Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1995-12-05 US disclosed
WO-1995018132-A1 DIARYL 5,6-FUSED HETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1995-07-06 WO disclosed
US-5374635-A Antiinflammatory agents, lipoxygenase inhibitor, antiallergens , cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1994-12-20 US disclosed
WO-1994022869-A1 FURO[3,2-b]PYRIDINES AND THIENO[3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-10-13 WO disclosed
WO-1994014815-A1 DIARYL 5,6-FUSEDHETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1994-07-07 WO disclosed
EP-0604114-A1 Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1994-06-29 EP 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 HSP90AA1 2147/4885KDM4E 4385/4885LMNA 4643/4885

“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.