SCHEMBL17214940

SCHEMBL17214940

N#Cc1cccc(-c2ccc(-c3nnc(SCc4nnn[nH]4)[nH]3)o2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GSK3A P49840 6/20 0.35
GSK3B P49841 6/20 0.35
AURKA O14965 1/20 0.35
GRK6 P43250 2/20 0.35
TP53 P04637 1/20 0.33
NOTUM Q6P988 1/20 0.33
CTSB P07858 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKDC P78527 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
PIN1 Q13526 1/20 0.31

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
SCHEMBL17215046 0.88 MAPKAPK2 (0.35) GSK3AGSK3BNOTUMMEN1KMT2A
SCHEMBL17214828 0.86 DAO (0.35) ALDH1A1HPGDSMN1; SMN2MEN1MAPT
SCHEMBL17214941 0.85 NR4A1 (0.34) GSK3BGRK6NOTUM
SCHEMBL17214949 0.84 L3MBTL1 (0.36) ALDH1A1HPGDSMN1; SMN2MEN1MAPT
SCHEMBL17214784 0.82 RAB9A (0.44) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL17214984 0.81 NOTUM (0.32) ALDH1A1HPGDSMN1; SMN2GRK6NOTUM
SCHEMBL17214785 0.81 GRK6 (0.38) ALDH1A1HPGDGRK6TP53MAPT
SCHEMBL17214948 0.81 GRK6 (0.37) GRK6
SCHEMBL17214991 0.80 CD274 (0.33) HPGDTSHR
SCHEMBL17214942 0.80 CYP2A6 (0.41) NPC1RAB9ASMN1; SMN2HTT

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 ALDH1A1 4741/4885NPC1 4527/4885HPGD 2605/4885

“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.