SCHEMBL17214836

SCHEMBL17214836

c1ccc2ncc(-c3ccc(-c4nnc(SCc5nnn[nH]5)[nH]4)o3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.36
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
PDGFRB P09619 3/20 0.33
PDGFRA P16234 3/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
CYP2A6 P11509 1/20 0.31
BIRC5 O15392 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BMPR1B O00238 1/20 0.30
PIK3C2G O75747 1/20 0.30
CDKL5 O76039 1/20 0.30

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
SCHEMBL17214849 0.88 RAB9A (0.37) GRM4DYRK1APIK3CDPIK3CAKDM4E
SCHEMBL17214984 0.86 NOTUM (0.32) HPGDALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL17214949 0.83 L3MBTL1 (0.36) CYP2A6GAAGFERHPGDKDM4E
SCHEMBL17214828 0.81 DAO (0.35) GAAGFERHPGDKDM4EMEN1
SCHEMBL17214941 0.80 NR4A1 (0.34) GAA
SCHEMBL17214991 0.79 CD274 (0.33) HPGDTSHR
SCHEMBL17214937 0.79 KMT2A (0.43) GRM4TOP2ATOP2BGAAHPGD
SCHEMBL17214942 0.79 CYP2A6 (0.41) CYP2A6PKMLMNASMN1; SMN2HSD17B10
SCHEMBL17214782 0.79
SCHEMBL17214737 0.78

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 4 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-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 GRM4 121/4885TOP2A 3099/4885TOP2B 3749/4885

“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.