SCHEMBL1663387

SCHEMBL1663387

O=C(O)c1ccc2[nH]c(-c3ccc(OCCO)cc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 9/20 0.66
DHODH Q02127 1/20 0.56
PLG P00747 4/20 0.54
PLAU P00749 4/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
NR4A2 P43354 1/20 0.52
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52

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
SCHEMBL1552348 0.95 CHEK2 (0.67) CHEK2DHODHPLGPLAUNR4A2
SCHEMBL13305839 0.94 PLG (0.60) CHEK2PLGPLAUHDAC3HDAC4
SCHEMBL1663391 0.90 CHEK2 (0.80) CHEK2PLGPLAUNR4A2HDAC6
SCHEMBL1553010 0.89 CHEK2 (0.83) CHEK2PLGPLAU
SCHEMBL16329639 0.89 CHEK2 (0.65) CHEK2DHODHPLGPLAUHDAC3
SCHEMBL7334119 0.89 RARB (0.62) CHEK2PLGPLAU
SCHEMBL31533514 0.87 BRD4 (0.53) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL27573981 0.87 CHEK2 (0.56) CHEK2PLGPLAUKDM4EALDH1A1
SCHEMBL15222318 0.86 CHEK2 (0.61) CHEK2DHODHPLGPLAUHDAC3
SCHEMBL28930292 0.85 KDM4E (0.68) CHEK2KDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
US-7250427-B2 Aryl-substituted benzimidazole and imidazopyridine ethers JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-31 US disclosed
US-20060004039-A1 Aryl-substituted benzimidazole and imidazopyridine ethers JANSSEN PHARMACEUTICA, N. V. (BE) 2006-01-05 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 (4 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-20060004039-A1 Aryl-substituted benzimidazole and imidazopyridine ethers WEE1, CDKN1A, DDB1 CHEK2 27/4885DHODH 2890/4885PLG 4788/4885
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL CHEK2 4422/4885DHODH 1837/4885PLG 1274/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885DHODH 3520/4885PLG 1732/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885DHODH 3520/4885PLG 1732/4885

“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.