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) —
SCHEMBL11622212 0.75 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL982016 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
SCHEMBL2081751 0.71 MAP4K4 (0.68) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL30098552 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.

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