SCHEMBL18539899

SCHEMBL18539899

CC(=O)CSc1nnc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
NOTUM Q6P988 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 2/20 0.36
DUSP3 P51452 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
INSR P06213 1/20 0.35

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
SCHEMBL18539855 0.91 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL18539848 0.91 KDM4E (0.36) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL18539852 0.90 RPA1 (0.46) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL17214740 0.90 PRKAG1 (0.43) MEN1KMT2AKDM4EHPGDDUSP3
SCHEMBL18539889 0.87 RORC (0.38) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL18539829 0.86 CD274 (0.36) KMT2AALDH1A1KDM4EHTTMAPT
SCHEMBL18539868 0.83 NPC1 (0.38) KMT2AALDH1A1KDM4ENOTUMMAPT
SCHEMBL18539890 0.83 FFAR1 (0.40) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL17214723 0.83 KDM4E (0.49) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL17214999 0.83 KDM4E (0.39) MEN1KMT2AALDH1A1KDM4EHPGD

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 2 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

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 MEN1 2275/4885KMT2A 2569/4885ALDH1A1 4741/4885

“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.