SCHEMBL5316043

SCHEMBL5316043

CS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.64
CA2 P00918 5/20 0.64
CA9 Q16790 5/20 0.64
CA1 P00915 4/20 0.64
CA14 Q9ULX7 4/20 0.64
TSHR P16473 3/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 1/20 0.54
MPO P05164 1/20 0.54
CYP2C9 P11712 1/20 0.54
HTR6 P50406 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
USP2 O75604 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA13 Q8N1Q1 1/20 0.52

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
SCHEMBL55092 0.93 TSHR (0.62) CA12CA2CA9CA1CA14
Hydrochloric Acid SCHEMBL560710 0.90 GAA (0.60) CA12CA2CA9CA1CA14
SCHEMBL7677302 0.87 PTGS2 (0.62) CA12CA2CA9PTGS2ENPP2
SCHEMBL10300269 0.87 PTGS2 (0.62) CA12CA2CA9PTGS2ENPP2
SCHEMBL8487915 0.86 PTGS2 (0.75) PTGS2
SCHEMBL178009 0.80 ALDH1A1 (0.58) TSHRCYP3A4LMNAMPOCYP2C9
SCHEMBL7142643 0.80 GFER (0.58) CA12CA2CA9CA1CA14
SCHEMBL14333821 0.80 HTR6 (0.84) CA12CA2CA9CA1CA14
SCHEMBL1271136 0.80 HTR6 (0.84) CA12CA2CA9CA1CA14
SCHEMBL7459148 0.80 HTR6 (0.84) CA12CA2CA9CA1CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
WO-2007062797-A1 AMINO-SUBSTITUTED AZO-HETEROCYCLIC COMPOUNDS FOR TREATING INFLAMMATORY CONDITIONS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed
EP-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO disclosed
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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 (8 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 CA12 4620/4885CA2 2354/4885CA9 4466/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CA12 4858/4885CA2 3513/4885CA9 4738/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CA12 4883/4885CA2 4237/4885CA9 4836/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CA12 4858/4885CA2 3513/4885CA9 4738/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK CA12 4858/4885CA2 3513/4885CA9 4738/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 CA12 4881/4885CA2 4069/4885CA9 4870/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CA12 4853/4885CA2 3360/4885CA9 4678/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CA12 4853/4885CA2 3360/4885CA9 4678/4885

“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.