SCHEMBL17548274

SCHEMBL17548274

CC(C)(C)OC(=O)Nc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
GAA P10253 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ABL1 P00519 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48

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
SCHEMBL23704807 0.87 LMNA (0.54) KMT2AMAPTMEN1ALDH1A1NPSR1
SCHEMBL7472746 0.87 RAB9A (0.50) MAPTALDH1A1LMNAMAPK1HDAC3
SCHEMBL22290428 0.85 MEN1 (0.70) KMT2AMAPTMEN1ALDH1A1HDAC3
SCHEMBL8318198 0.85 HDAC3 (0.50) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL31311281 0.84 MEN1 (0.58) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL7473414 0.83 HDAC3 (0.52) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL18618793 0.83 HDAC3 (0.56) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL12527532 0.81 ABL1 (0.74) KMT2AMAPTMEN1ALDH1A1NPSR1
SCHEMBL10921733 0.81 KMT2A (0.68) KMT2AMAPTMEN1ALDH1A1NPSR1
SCHEMBL8321552 0.80 MAPT (0.66) KMT2AMAPTMEN1ALDH1A1LMNA

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-9980948-B2 Azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-05-29 US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 US disclosed
WO-2016031842-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING EFFECT 塩野義製薬株式会社 2016-03-03 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-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG1 KMT2A 545/4885MAPT 4397/4885MEN1 2557/4885

“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.