SCHEMBL1662761

SCHEMBL1662761

COc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1

nearest known ligand 0.93

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 16/20 0.93
NR4A2 P43354 1/20 0.70
KDM4E B2RXH2 1/20 0.63
NPC1 O15118 1/20 0.63
ALDH1A1 P00352 1/20 0.63
TP53 P04637 1/20 0.63
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
RAB9A P51151 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HSD17B10 Q99714 1/20 0.63
SLC2A1 P11166 1/20 0.62
MMP2 P08253 1/20 0.62
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62
MMP13 P45452 1/20 0.62

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
SCHEMBL6643584 0.96 CHEK2 (1.00) CHEK2NR4A2
SCHEMBL6125993 0.92 CHEK2 (0.80) CHEK2NR4A2KDM4ENPC1ALDH1A1
SCHEMBL1662758 0.90 CHEK2 (0.76) CHEK2NR4A2KDM4ENPC1ALDH1A1
Guanidine SCHEMBL8691305 0.89 CHEK2 (0.74) CHEK2NR4A2
SCHEMBL20982644 0.89 NR4A2 (0.86) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL5219768 0.87 NR4A2 (0.83) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL5222037 0.87 MMP2 (0.75) CHEK2NR4A2KDM4ENPC1ALDH1A1
SCHEMBL18237037 0.86 HDAC6 (0.77) CHEK2
SCHEMBL3916748 0.86 CHEK2 (0.82) CHEK2KDM4ENPC1ALDH1A1HPGD
SCHEMBL3572190 0.86 CHEK2 (0.71) CHEK2NR4A2KDM4ENPC1ALDH1A1

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 10 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
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL CHEK2 4422/4885NR4A2 2123/4885KDM4E 3484/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885NR4A2 788/4885KDM4E 1944/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885NR4A2 788/4885KDM4E 1944/4885

“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.