SCHEMBL17037445

SCHEMBL17037445

COc1ccc(C2CN(C(=O)C(C)C(C)C)CCS2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAP2K1 Q02750 1/20 0.41
HPGD P15428 1/20 0.41
BRD4 O60885 1/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
KCNA5 P22460 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL17040279 0.90 MAOA (0.44) MAOAMAP2K1HPGDBRD4MMP13
SCHEMBL14256495 0.75 MAOA (0.49) MAOAMAP2K1HPGDLMNAMAPT
SCHEMBL7397293 0.72 BRD4 (0.56) MAOAMAP2K1BRD4KCNA5LMNA
SCHEMBL6340136 0.70 ALDH1A1 (0.59) BRD4MMP13MMP1MMP3MMP7
SCHEMBL21852720 0.70 L3MBTL1 (0.64) MAPTKMT2APOLB
SCHEMBL14266745 0.70 MAOA (0.49) MAOAMAP2K1KCNA5LMNAMAPT
SCHEMBL25319769 0.69 ERN1 (0.40) HPGDLMNA
SCHEMBL7398714 0.69 MAOA (0.48) MAOAMAP2K1BRD4LMNAMAPT
SCHEMBL20236680 0.68 BRD4 (0.45) BRD4MMP13MMP1MMP3MMP9
SCHEMBL6335139 0.68 ALDH1A1 (0.56) HPGDBRD4MMP13MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 MAOA 1148/4885MAP2K1 713/4885HPGD 2013/4885

“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.