SCHEMBL20564004

SCHEMBL20564004

CSc1nc(=O)c(C(C)C)c(O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL6033604 0.76 HTT (0.46) GAAKMT2AMEN1HTTMAPT
SCHEMBL1188430 0.74 HTT (0.37) GAAKMT2AMEN1HTTMAPT
SCHEMBL8515729 0.69 L3MBTL1 (0.48) GAAKMT2AMEN1HTTPOLB
SCHEMBL8725004 0.62 HTT (0.39) KMT2AMEN1HTTPOLBHPGD
SCHEMBL117000 0.60 PKM (0.41) GAAKMT2AMEN1HTTPOLB
SCHEMBL10127313 0.60 NPC1 (0.44) HTTPOLBHPGDMAPTKDM4E
SCHEMBL9879042 0.59 HTT (0.40) HTTMAPTPKML3MBTL1KDM4E
SCHEMBL9155883 0.58 POLB (0.36) GAAKMT2AMEN1HTTPOLB
SCHEMBL3946911 0.58 MAPK1 (0.34) GAAPOLBHPGD
SCHEMBL9478888 0.58 L3MBTL1 (0.39) GAAKMT2AHTTHPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
WO-2018213777-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-22 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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C GAA 2911/4885KMT2A 33/4885MEN1 1250/4885

“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.