SCHEMBL581379

SCHEMBL581379

O=c1[nH][nH]c(=O)c2c(F)ccc(F)c12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.53
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DAO P14920 7/20 0.38
PARP1 P09874 2/20 0.38
PLK4 O00444 1/20 0.34
MAPK9 P45984 1/20 0.34
LIMK1 P53667 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
AKT3 Q9Y243 1/20 0.34
AOC3 Q16853 1/20 0.33
ALOX5 P09917 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
SCHEMBL31312891 1.00 CASP6 (0.53) CASP6ALDH1A1MAPTMEN1POLB
SCHEMBL12068355 0.78 CASP6 (0.54) CASP6ALDH1A1MAPTMEN1POLB
SCHEMBL12069883 0.78 CASP6 (0.54) CASP6ALDH1A1MAPTMEN1POLB
SCHEMBL3758295 0.76 ALDH1A1 (0.59) CASP6ALDH1A1MEN1POLBKMT2A
SCHEMBL30319339 0.76 ALDH1A1 (0.59) CASP6ALDH1A1MEN1POLBKMT2A
SCHEMBL18606165 0.69 CA3 (0.35) CASP6
SCHEMBL13527427 0.69 ALDH1A1 (0.38) CASP6ALDH1A1PLK4MAPK9LIMK1
SCHEMBL29947824 0.69 GRIN2D (0.43) CASP6ALDH1A1DAO
SCHEMBL31287982 0.66 ALDH1A1 (0.37) CASP6ALDH1A1MAPTPOLBPARP1
SCHEMBL25362170 0.65 DAO (0.48) ALDH1A1DAOLIMK1CLK4ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250154130-A1 NOVEL THR BETA ANALOGS AND USES THEREOF LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2025-05-15 US disclosed
WO-2023154842-A1 THR BETA ANALOGS AND USES THEREOF MADRIGAL PHARMACEUTICALS, INC. (US) 2023-08-17 WO disclosed
WO-2023154842-A1 THR BETA ANALOGS AND USES THEREOF MADRIGAL PHARMACEUTICALS, INC. (US) 2023-08-17 WO disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 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 (5 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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB CASP6 2898/4885ALDH1A1 2864/4885MAPT 2283/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 CASP6 3592/4885ALDH1A1 1645/4885MAPT 1958/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB CASP6 2898/4885ALDH1A1 2864/4885MAPT 2283/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB CASP6 2898/4885ALDH1A1 2864/4885MAPT 2283/4885
US-20250154130-A1 NOVEL THR BETA ANALOGS AND USES THEREOF THRB, THRA, TSHR CASP6 3504/4885ALDH1A1 2389/4885MAPT 2343/4885

“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.