SCHEMBL4029699

SCHEMBL4029699

CC(C)c1ccc(Br)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
APAF1 O14727 1/20 0.46
TDP2 O95551 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HSP90AA1 P07900 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42
USP2 O75604 1/20 0.42
CYP2C19 P33261 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
SCHEMBL26971200 0.86 PSMD14 (0.40) MEN1KMT2AMAPTAPAF1TDP2
SCHEMBL11321990 0.85 L3MBTL1 (0.48) MEN1KMT2AMAPTHSP90AA1NPC1
SCHEMBL10141896 0.80 MEN1 (0.54) MEN1KMT2AMAPTHSP90AA1NPC1
SCHEMBL18368389 0.79 KDM4E (0.47) MEN1KMT2AMAPTALDH1A1HSP90AA1
SCHEMBL22031920 0.79 L3MBTL1 (0.42) MEN1KMT2AMAPTALDH1A1HSP90AA1
SCHEMBL18368378 0.79 L3MBTL1 (0.47) MEN1KMT2AHSP90AA1NPC1L3MBTL1
SCHEMBL13797358 0.79 CYP2C19 (0.62) MEN1KMT2AMAPTALDH1A1HSP90AA1
SCHEMBL196848 0.78 KMT2A (0.68) MEN1KMT2AMAPTAPAF1TDP2
SCHEMBL24634726 0.76 GAA (0.51) MEN1KMT2AALDH1A1KDM4ENSD2
SCHEMBL20824767 0.76 IDO1 (0.45) MEN1KMT2AMAPTALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100508978-C Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK & CO INC MERCK FROSST CA (US) 2009-07-08 CN disclosed
EP-1363635-B1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO INC (US) 2009-04-15 EP disclosed
CN-1221534-C Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2005-10-05 CN disclosed
CN-1551769-A Substituted 8-arylquinoline phosphodiesterase-4 inhibitors 2004-12-01 CN 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
CN-1434801-A Substited 8-anylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2003-08-06 CN 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 MEN1 3969/4885KMT2A 417/4885MAPT 4352/4885
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 MEN1 4357/4885KMT2A 1337/4885MAPT 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.