SCHEMBL2908816

SCHEMBL2908816

COc1cc(N(Cc2cncs2)c2cccc(C(=O)OC(C)(C)C)c2)ccc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 3/20 0.38
SLC7A5 Q01650 1/20 0.34
PARP15 Q460N3 3/20 0.33
NEK2 P51955 2/20 0.33
PARP10 Q53GL7 2/20 0.33
BUB1 O43683 1/20 0.33
CTSL P07711 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2901912 0.92 KDM4E (0.35) SLC7A5BUB1CTSLALDH1A1MAPT
SCHEMBL2905045 0.92 MKNK1 (0.38) MKNK1MKNK2PARP15NEK2PARP10
SCHEMBL5400647 0.88 MKNK1 (0.41) MKNK1MKNK2PARP15NEK2PARP10
SCHEMBL3123577 0.86 CTSL (0.35) SLC7A5BUB1CTSLALDH1A1MAPT
SCHEMBL3126048 0.86 SREBF1 (0.41) BUB1NPC1RAB9AALDH1A1MAPT
SCHEMBL2907453 0.86 TMPRSS15 (0.34) SLC7A5BUB1CTSLNPC1RAB9A
SCHEMBL16160306 0.85 MKNK1 (0.45) MKNK1MKNK2PARP15NEK2PARP10
SCHEMBL2908204 0.85 MKNK1 (0.48) MKNK1MKNK2SLC7A5ALDH1A1L3MBTL1
SCHEMBL3203001 0.85 POLB (0.35) SLC7A5BUB1CTSLNPC1RAB9A
SCHEMBL3202579 0.84 PDE4B (0.43)

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 5 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
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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 (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 4117/4885SLC7A5 3452/4885
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MKNK1 1371/4885MKNK2 1995/4885SLC7A5 2234/4885

“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.