SCHEMBL8770686

SCHEMBL8770686

O=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1)c1ccncc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.85
KDM4E B2RXH2 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
MAPK1 P28482 3/20 0.71
HTT P42858 2/20 0.70
KMT2A Q03164 6/20 0.68
MEN1 O00255 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
NT5E P21589 1/20 0.66
JAK2 O60674 1/20 0.65
TYK2 P29597 1/20 0.65
POLB P06746 3/20 0.63
MAPT P10636 1/20 0.63
STAT3 P40763 1/20 0.62
LMNA P02545 2/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
FFAR1 O14842 1/20 0.61

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
SCHEMBL19242053 0.92 GAA (1.00) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL1898755 0.88 GAA (0.91) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL14716526 0.88 KDM4E (1.00) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL8770729 0.87 NAMPT (0.67) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL1663420 0.87 NAMPT (0.67) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL5466412 0.87 JAK2 (0.86) GAAKDM4EL3MBTL1HTTKMT2A
SCHEMBL6990840 0.87 GAA (0.81) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL19241697 0.86 GAA (0.88) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL5470106 0.86 KDM4E (0.73) GAAKDM4EL3MBTL1HTTKMT2A
SCHEMBL3093554 0.85 GAA (0.79) GAAKDM4EL3MBTL1MAPK1HTT

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 7 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
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US 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 GAA 2365/4885KDM4E 3484/4885L3MBTL1 2414/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF GAA 1915/4885KDM4E 1944/4885L3MBTL1 765/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF GAA 1915/4885KDM4E 1944/4885L3MBTL1 765/4885

“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.