SCHEMBL551292

SCHEMBL551292

NC(=O)c1cc(-c2nnn[nH]2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 3/20 0.53
CLK1 P49759 6/20 0.42
DYRK1A Q13627 6/20 0.42
PARP1 P09874 2/20 0.38
PKMYT1 Q99640 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IKBKB O14920 2/20 0.36
IKBKE Q14164 1/20 0.36
MCL1 Q07820 2/20 0.36
DHFR P00374 1/20 0.36
HNF4A P41235 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2761565 0.86 MCL1 (0.51) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL6175969 0.85 MCL1 (0.40) CHUKMCL1DHFRHNF4AACMSD
SCHEMBL10474977 0.84 CHUK (0.37) CHUKPARP1PKMYT1IKBKBIKBKE
SCHEMBL10320360 0.84 SIRT3 (0.38) CHUKPARP1PKMYT1ALDH1A1IKBKB
SCHEMBL1577056 0.81 DGAT1 (0.45) CHUKPARP1IKBKB
SCHEMBL26230907 0.78 ALDH1A1 (0.46) PARP1MAPTGAAKDM4EALDH1A1
SCHEMBL12970703 0.77 MKNK1 (0.52) PARP1MAPTGAAKDM4EALDH1A1
SCHEMBL31652375 0.77 ALDH1A1 (0.48) MAPTALDH1A1
SCHEMBL751010 0.76 MKNK1 (0.42) ALDH1A1KMT2AMKNK1MKNK2
SCHEMBL31652697 0.75 TGFBR1 (0.38) PARP1MAPTKDM4EALDH1A1HPGD

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-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
EP-2310015-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF Cropsolution, Inc. (US) 2011-04-20 EP disclosed
WO-2010008521-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2010-01-21 WO disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 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-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB CHUK 2212/4885CLK1 1220/4885DYRK1A 4737/4885

“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.