SCHEMBL4028614

SCHEMBL4028614

CSc1ccc(C(O)c2nccn2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
FGB P02675 1/20 0.41
TNNI3 P19429 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
TNNT2 P45379 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL4905688 0.81 KDM4E (0.71) KDM4EL3MBTL1MAPTLMNAALDH1A1
SCHEMBL4899087 0.81 KDM4E (0.71) KDM4EL3MBTL1MAPTLMNAALDH1A1
SCHEMBL6651894 0.81 KDM4E (0.71) KDM4EL3MBTL1MAPTLMNAALDH1A1
SCHEMBL6920287 0.81 KDM4E (0.71) KDM4EL3MBTL1MAPTLMNAALDH1A1
SCHEMBL9499461 0.77 KDM4E (0.69) KDM4EL3MBTL1MAPTLMNAALDH1A1
SCHEMBL4906765 0.77 KDM4E (0.65) KDM4EL3MBTL1MAPTLMNAALDH1A1
SCHEMBL11669860 0.75 KDM4E (0.75) KDM4EL3MBTL1MAPTLMNAALDH1A1
SCHEMBL11671087 0.75 L3MBTL1 (0.68) KDM4EL3MBTL1MAPTLMNAALDH1A1
SCHEMBL5599158 0.75 KDM4E (0.61) KDM4EL3MBTL1MAPTLMNAALDH1A1
SCHEMBL4902046 0.74 KDM4E (0.60) KDM4EL3MBTL1MAPTLMNAALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363635-B1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO INC (US) 2009-04-15 EP disclosed
US-6740666-B2 FOR THERAPY OF ASTHMA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, EOSINOPHILIC GRANULOMA, PSORIASIS; SEPTIC SHOCK, ULCERATIVE COLITIS, CROHN'S DISEASE, REPERFUSION INJURY OF THE MYOCARDIUM AND BRAIN, INFLAMMATION MERCK & CO., INC. 2004-05-25 US disclosed
EP-1363635-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS Merck & Co., Inc. (US) 2003-11-26 EP disclosed
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-10-03 US disclosed
EP-1244628-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-02 EP disclosed
WO-2002069970-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO., INC. (US) 2002-09-12 WO disclosed
US-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-08-01 US disclosed
US-6410563-B1 RESPIRATORY SYSTEM DISORDERS; ANTIARTHRITIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-06-25 US disclosed
WO-2001046151-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-06-28 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 (2 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-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE4C KDM4E 63/4885L3MBTL1 3284/4885MAPT 4352/4885
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 KDM4E 367/4885L3MBTL1 4187/4885MAPT 4413/4885

“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.