SCHEMBL2164241

SCHEMBL2164241

O/N=C\c1cccc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KCNH2 Q12809 1/20 0.50
DYRK3 O43781 2/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK2 Q92630 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
FGF23 Q9GZV9 2/20 0.42

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
SCHEMBL8308133 1.00 KDM4E (0.52) KDM4EALDH1A1L3MBTL1KCNH2DYRK3
SCHEMBL2164243 1.00 KDM4E (0.52) KDM4EALDH1A1L3MBTL1KCNH2DYRK3
SCHEMBL29936120 0.86 ASIC1 (0.54) KDM4EALDH1A1L3MBTL1KCNH2SMN1; SMN2
SCHEMBL29936503 0.86 ASIC1 (0.54) KDM4EALDH1A1L3MBTL1KCNH2SMN1; SMN2
SCHEMBL301514 0.85 PRKCI (0.47) KDM4EALDH1A1L3MBTL1KCNH2DYRK3
SCHEMBL301513 0.85 PRKCI (0.47) KDM4EALDH1A1L3MBTL1KCNH2DYRK3
Hydrochloric Acid SCHEMBL973503 0.83 PRKCI (0.46) KDM4EALDH1A1L3MBTL1KCNH2DYRK3
SCHEMBL13668231 0.83 KDM4E (0.44) KDM4EALDH1A1L3MBTL1KCNH2DYRK3
Hydrochloric Acid SCHEMBL973504 0.83 PRKCI (0.46) KDM4EALDH1A1L3MBTL1KCNH2DYRK3
SCHEMBL13586045 0.83 KDM4E (0.44) KDM4EALDH1A1L3MBTL1KCNH2DYRK3

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 7 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-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP 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-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

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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 KDM4E 2603/4885ALDH1A1 1374/4885L3MBTL1 3011/4885

“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.