SCHEMBL5337616

SCHEMBL5337616

CC(C)(O)c1ccc(-c2cccc(N)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.58
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAOA P21397 1/20 0.43
CYP17A1 P05093 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
KIT P10721 2/20 0.40
PGR P06401 1/20 0.40
NTRK1 P04629 1/20 0.39
MCL1 Q07820 1/20 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
SCHEMBL944085 0.80 CCNT1 (0.50) AXLNTRK1PDPK1
SCHEMBL3197156 0.77 ABL1 (0.39)
SCHEMBL982016 0.75 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL11622212 0.75 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL13653889 0.74 KDM4E (0.40) MEN1CA12CA1CA2CA9
SCHEMBL6222939 0.72 ALOX5AP (0.33)
SCHEMBL3414793 0.72 MAP4K4 (0.58) MAP4K4MKNK1MKNK2CYP3A4PGR
SCHEMBL956760 0.72 GSK3B (0.45) MKNK1MKNK2
SCHEMBL30098552 0.71 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL2081751 0.71 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
CN-1326856-C Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO INC (US) 2007-07-18 CN disclosed
US-20060040981-A1 Use of phosphodiesterase-4 inhibitors as enhancers of cognition MERCK FROSST CANADA LTD. (CA) 2006-02-23 US disclosed
CN-1738818-A Process for preparing phosphodiesterase-4 inhibitors MERCK & CO INC (US) 2006-02-22 CN disclosed
US-20060019981-A1 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO., INC. 2006-01-26 US disclosed
EP-1592419-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION Merck Frosst Canada & Co. (CA) 2005-11-09 EP disclosed
EP-1397359-B1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-08-31 EP disclosed
US-6909002-B2 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. (US) 2005-06-21 US disclosed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 US disclosed
US-6677351-B2 USEFUL IN TREATMENT OF ASTHMA AND INFLAMMATION MERCK FROSST CANADA & CO. (CA) 2004-01-13 US disclosed
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2003-05-22 US 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 (4 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-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 PDE4B, PDE4A, PDE5A MAP4K4 1116/4885MEN1 798/4885PSIP1 450/4885
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE7A MAP4K4 681/4885MEN1 3789/4885PSIP1 325/4885
US-20060019981-A1 Method of preparing inhibitors phosphodiesterase-4 PDE4A, PDE5A, PDE3A MAP4K4 1105/4885MEN1 1362/4885PSIP1 757/4885
US-20060040981-A1 Use of phosphodiesterase-4 inhibitors as enhancers of cognition PDE4A, PDE4B, PDE4C MAP4K4 357/4885MEN1 3307/4885PSIP1 1372/4885

“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.