SCHEMBL12401725

SCHEMBL12401725

CCCC(NC(C)(C)C)C(=O)C(=O)NCc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
LMNA P02545 4/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 1/20 0.54
CTSK P43235 3/20 0.54
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL12401673 0.87 CTSK (0.59) RAB9ALMNAMAPTCTSKL3MBTL1
SCHEMBL16317048 0.85 CTSK (0.57) LMNAMAPTCTSKHTTL3MBTL1
SCHEMBL14943763 0.85 LMNA (0.58) RAB9ALMNAMAPTMAPK1CTSK
SCHEMBL12401676 0.81 CTSK (0.41) RAB9ALMNAMAPTMAPK1CTSK
SCHEMBL12401674 0.80 LMNA (0.43) LMNAMAPK1CTSKNAMPT
SCHEMBL13117641 0.79 CTSK (0.56) RAB9ALMNAMAPTMAPK1CTSK
SCHEMBL12401726 0.76 CTSK (0.47) RAB9ACTSKL3MBTL1SMN1; SMN2CYP3A4
SCHEMBL6605883 0.76 CTSK (0.71) RAB9ALMNAMAPTMAPK1CTSK
SCHEMBL6605878 0.76 CTSK (0.71) RAB9ALMNAMAPTMAPK1CTSK
SCHEMBL12401542 0.76 CTSK (0.34) CTSKCYP3A4

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 RAB9A 2004/4885LMNA 2814/4885MAPT 2629/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 RAB9A 2004/4885LMNA 2814/4885MAPT 2629/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 RAB9A 3172/4885LMNA 1534/4885MAPT 3914/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 RAB9A 2014/4885LMNA 2850/4885MAPT 2613/4885

“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.