SCHEMBL18540528

SCHEMBL18540528

CC(=O)CSc1nnc(-c2ccc(O)c(F)c2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 3/20 0.48
MIF P14174 2/20 0.41
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
MITF O75030 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MGLL Q99685 1/20 0.35
CYP17A1 P05093 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
HSP90AA1 P07900 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL18540512 0.90 GRK6 (0.46) GRK6LMNAMITFOPRM1OPRD1
SCHEMBL14907726 0.89 GRK6 (0.61) GRK6KDM4ELMNAHSD17B10RAB9A
SCHEMBL18540520 0.88 GRK6 (0.45) GRK6KDM4EHSD17B10ESR2MITF
SCHEMBL18540515 0.82 GRK6 (0.53) GRK6ALDH1A1
SCHEMBL18540594 0.81 GRK6 (0.52) GRK6KDM4EHSD17B10PKMALDH1A1
SCHEMBL18540514 0.81 GRK6 (0.47) GRK6LMNACYP3A4HSP90AA1NPC1
SCHEMBL18540542 0.81 GRK6 (0.52) GRK6KDM4EHSD17B10ALDH1A1GAA
SCHEMBL18540511 0.79 GRK6 (0.53) GRK6KDM4EALDH1A1
SCHEMBL18540532 0.79 GRK6 (0.42) GRK6MITFOPRM1OPRD1HSP90AA1
SCHEMBL18540500 0.79 GRK6 (0.45) GRK6KDM4EMITFOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 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 (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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 GRK6 1/4885MIF 1191/4885KDM4E 4539/4885

“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.