SCHEMBL17214946

SCHEMBL17214946

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 6/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TP53 P04637 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
PSMB11 A5LHX3 1/20 0.37
PSMD11 O00231 1/20 0.37
PSMD12 O00232 1/20 0.37
PSMD14 O00487 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
SCHEMBL17214785 0.88 GRK6 (0.38) NQO2MAPTALDH1A1POLBKDM4E
SCHEMBL17214945 0.86 NPY5R (0.35) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL18539966 0.86 NQO2 (0.49) NQO2SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL17214828 0.82 DAO (0.35) SMN1; SMN2TSHRMAPTMEN1KMT2A
SCHEMBL17214941 0.81 NR4A1 (0.34) NQO2POLB
SCHEMBL17214949 0.80 L3MBTL1 (0.36) SMN1; SMN2TSHRMAPTMEN1KMT2A
SCHEMBL17214950 0.80 GRK6 (0.40) CYP17A1CYP3A4
SCHEMBL17214784 0.79 RAB9A (0.44) SMN1; SMN2NPC1RAB9ATSHRMEN1
SCHEMBL17214940 0.79 ALDH1A1 (0.37) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL17214765 0.79 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9ATSHRMEN1

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 NQO2 3504/4885SMN1; SMN2 4582/4885NPC1 4527/4885

“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.