SCHEMBL12401674

SCHEMBL12401674

CCCC(NC(C)(C)C)C(=O)C(=O)NCc1ccc(-n2cccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SCN9A Q15858 3/20 0.42
CTSK P43235 2/20 0.41
GCGR P47871 2/20 0.41
BRS3 P32247 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CHRM1 P11229 2/20 0.40
MAPK1 P28482 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
NAMPT P43490 1/20 0.38
ADAM10 O14672 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 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
SCHEMBL12413652 0.89 KDM4E (0.46) LMNACTSKMAPK1NAMPT
SCHEMBL14943761 0.89 LMNA (0.45) LMNASCN9ACTSKGCGRTNKS
SCHEMBL12481355 0.88 LMNA (0.44) LMNASCN9ACTSKGCGRTNKS
SCHEMBL8154429 0.87 LMNA (0.43) LMNASCN9ACTSKGCGRTNKS
SCHEMBL15338722 0.83 SCN9A (0.46) LMNASCN9AGCGRTNKSPARP1
SCHEMBL12401725 0.80 RAB9A (0.57) LMNACTSKMAPK1NAMPT
SCHEMBL12401673 0.80 CTSK (0.59) LMNACTSK
SCHEMBL8132918 0.78 LMNA (0.48) LMNAMAPK1NAMPT
SCHEMBL16317048 0.76 CTSK (0.57) LMNACTSK
SCHEMBL17469086 0.73 LMNA (0.55) LMNASCN9ATNKSPARP1TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 LMNA 2814/4885SCN9A 1286/4885CTSK 217/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 LMNA 2814/4885SCN9A 1286/4885CTSK 217/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 LMNA 1534/4885SCN9A 4206/4885CTSK 109/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 LMNA 2850/4885SCN9A 1349/4885CTSK 240/4885

“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.