SCHEMBL17214945

SCHEMBL17214945

CS(=O)(=O)Nc1cccc(-c2ccc(-c3nnc(SCc4nnn[nH]4)[nH]3)o2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
HTT P42858 1/20 0.33
KDM1A O60341 2/20 0.33
MTOR P42345 1/20 0.33
ATR Q13535 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33
KIF11 P52732 1/20 0.33
PDE4B Q07343 1/20 0.33
KIT P10721 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL17214944 0.89 MEN1 (0.34) CDK1CDK2JAK2KIF11KIT
SCHEMBL17214948 0.86 GRK6 (0.37) ATRKIF11KCNH2
SCHEMBL17214946 0.86 NQO2 (0.49) HTTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL18539980 0.86 HTT (0.35) NPY5RHTTKDM1AMTORATR
SCHEMBL17214950 0.84 GRK6 (0.40) KDM1ACYP3A4
SCHEMBL17214765 0.82 ALDH1A1 (0.41) HTTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17214828 0.82 DAO (0.35) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL17214941 0.81 NR4A1 (0.34) PDE4B
SCHEMBL17214785 0.81 GRK6 (0.38) ATRCDK1CDK2BRD4KDM4E
SCHEMBL17214949 0.80 L3MBTL1 (0.36) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
WO-2015164411-A9 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-05-26 WO disclosed
WO-2015164411-A2 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 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 (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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 NPY5R 2385/4885HTT 3805/4885KDM1A 4471/4885

“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.