SCHEMBL2009596

SCHEMBL2009596

COc1c(C)cc(/C=N/O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
GFER P55789 1/20 0.37
TUBB1 Q9H4B7 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
SCHEMBL2009598 1.00 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL2443371 1.00 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL2446866 0.87 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL2446863 0.87 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL3471744 0.79 HPGD (0.59) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL15463039 0.79 HPGD (0.59) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL3471747 0.79 HPGD (0.59) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL2449841 0.79 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL2010925 0.79 HTT (0.38) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL2449843 0.79 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP 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
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP 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
EP-2114958-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS Vertex Pharmceuticals Incorporated (US) 2009-11-11 EP disclosed
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
EP-1917269-A2 INHIBITORS OF SERINE PROTEASES Vertex Pharmaceuticals Incorporated (US) 2008-05-07 EP disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO 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 (3 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 ALDH1A1 1374/4885HSD17B10 690/4885CYP1A2 1349/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ALDH1A1 1374/4885HSD17B10 690/4885CYP1A2 1349/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 ALDH1A1 1255/4885HSD17B10 486/4885CYP1A2 1092/4885

“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.