SCHEMBL18540532

SCHEMBL18540532

CC(=O)CSc1nnc(-c2cc(O)cc(O)c2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.42
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MITF O75030 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
NPC1 O15118 2/20 0.33
HSP90AA1 P07900 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL14907741 0.87 GRK6 (0.56) GRK6ALDH1A1RAB9AKMT2A
SCHEMBL18540537 0.82 GRK6 (0.49) GRK6
SCHEMBL18540520 0.82 GRK6 (0.45) GRK6POLBALDH1A1GAAMITF
SCHEMBL18540521 0.82 GRK6 (0.47) GRK6TP53SMN1; SMN2POLBALDH1A1
SCHEMBL16171120 0.81 GRK6 (0.47) GRK6ALDH1A1RAB9AKMT2A
SCHEMBL18540527 0.80 GRK6 (0.49) GRK6TP53SMN1; SMN2POLBALDH1A1
SCHEMBL18540600 0.80 SMN1; SMN2 (0.36) GRK6TP53SMN1; SMN2POLBALDH1A1
SCHEMBL18540530 0.79 GRK6 (0.45) GRK6TP53POLBALDH1A1GAA
SCHEMBL18540528 0.79 GRK6 (0.48) GRK6POLBALDH1A1GAAMITF
SCHEMBL18540545 0.79 GRK6 (0.53) GRK6TP53SMN1; SMN2POLBALDH1A1

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 1/4885TP53 3522/4885SMN1; SMN2 4578/4885

“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.