SCHEMBL2908813

SCHEMBL2908813

COc1cc(C(Nc2cccc(C(=O)OC(C)(C)C)c2)c2cncs2)ccc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
AURKA O14965 3/20 0.34
RPS6KB1 P23443 3/20 0.34
ERN1 O75460 1/20 0.33
SLC7A5 Q01650 1/20 0.33
KMT2A Q03164 1/20 0.32
BUB1 O43683 1/20 0.32
NEK2 P51955 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CASR P41180 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
TMPRSS15 P98073 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL2905041 0.91 CD38 (0.36) MKNK1MKNK2AURKARPS6KB1ERN1
SCHEMBL2907448 0.86 TMPRSS15 (0.36) ABCB1ABCG2HTR1AHTR7AURKA
SCHEMBL2908203 0.85 MKNK1 (0.45) MKNK1MKNK2ABCB1ABCG2KMT2A
SCHEMBL2908192 0.81 IMPDH2 (0.36) ABCG2HTR1AHTR7AURKAKMT2A
SCHEMBL2910933 0.77 PDE4D (0.40) ABCB1ABCG2KMT2ARAB9AALDH1A1
SCHEMBL2908019 0.77 KCNQ3 (0.37) AURKARPS6KB1RAB9ATMPRSS15
SCHEMBL3123717 0.74 TSHR (0.47) KMT2ARAB9AALDH1A1
SCHEMBL2908816 0.71 MKNK1 (0.38) MKNK1MKNK2SLC7A5BUB1NEK2
SCHEMBL2910339 0.69 MAPK1 (0.42) KMT2ARAB9AALDH1A1ALPL
SCHEMBL2908930 0.67 ABCB1 (0.44) ABCB1ABCG2SLC7A5KMT2ABUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 4117/4885ABCB1 829/4885

“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.