Sugi Predict

Sugi Predict / Compounds / SCHEMBL2905045

SCHEMBL2905045

SCHEMBL2905045

COc1cc(N(Cc2cncs2)c2ccc(C(=O)OC(C)(C)C)cc2)ccc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.38
▸ MKNK2 Q9HBH9 2/20 0.38
▸ PARP15 Q460N3 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ NEK2 P51955 2/20 0.35
▸ SYK P43405 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CD38 P28907 1/20 0.32
▸ LTC4S Q16873 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL2908816 0.92 MKNK1 (0.38) MKNK1MKNK2PARP15PARP10NEK2
SCHEMBL2908195 0.92 HDAC6 (0.34) PARP15PARP10NEK2MEN1LMNA
SCHEMBL2901840 0.92 ALDH1A1 (0.35) MEN1LMNACYP1A2CYP3A4TSHR
SCHEMBL3205143 0.92 ALDH1A1 (0.38) PARP15PARP10MEN1LMNACYP1A2
SCHEMBL2908361 0.88 MKNK1 (0.41) MKNK1MKNK2PARP15PARP10NEK2
SCHEMBL16160208 0.88 MKNK1 (0.41) MKNK1MKNK2PARP15PARP10NEK2
SCHEMBL3205815 0.87 HRH4 (0.38) PARP15PARP10TSHRKMT2AHDAC6
SCHEMBL3199311 0.86 RXRA (0.37) PARP15PARP10MEN1LMNACYP3A4
SCHEMBL3215114 0.86 HDAC6 (0.36) PARP15PARP10MEN1LMNATSHR
SCHEMBL16160306 0.86 MKNK1 (0.45) MKNK1MKNK2PARP15PARP10NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 — — US disclosed
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 — — EP disclosed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 — — EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 — — US disclosed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 — — 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B MKNK1 4229/4885MKNK2 4117/4885PARP15 689/4885
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MKNK1 1371/4885MKNK2 1995/4885PARP15 2277/4885

“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.