SCHEMBL1666786

SCHEMBL1666786

Nc1ccc(-n2ncc3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
NPC1 O15118 2/20 0.47
NFKB1 P19838 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
PLA2G10 O15496 1/20 0.47
HSP90AA1 P07900 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIM3 Q86V86 1/20 0.46
MGLL Q99685 1/20 0.46
SMO Q99835 4/20 0.45
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
CSNK1A1 P48729 1/20 0.44
GSK3A P49840 1/20 0.44
LIMK1 P53667 1/20 0.44
IKBKE Q14164 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL1664635 0.91 PLA2G10 (0.53) XDHNPC1NFKB1RAB9ANFKB2
SCHEMBL1667310 0.91 PLA2G10 (0.55) XDHNPC1NFKB1RAB9ANFKB2
SCHEMBL2610311 0.87 MGLL (0.57) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL1362909 0.86 NR3C1 (0.60) MGLLSMONR3C1PGR
Isonicotinic Acid SCHEMBL27937036 0.85 PIM3 (0.47) XDHNPC1NFKB1RAB9ANFKB2
SCHEMBL9986667 0.84 SMO (0.49) PLA2G10MGLLSMONR3C1HPGD
SCHEMBL30040852 0.84 SMO (0.49) PLA2G10MGLLSMONR3C1HPGD
SCHEMBL15195822 0.82 SMO (0.53) PLA2G10MGLLSMONR3C1
SCHEMBL6840204 0.82 NR3C1 (0.52) PLA2G10SMONR3C1PGR
SCHEMBL13836680 0.82 CHEK1 (0.57) PLA2G10PIM3MGLLSMOCHEK1

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 9 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

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 XDH 3247/4885NPC1 4635/4885NFKB1 1803/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF XDH 3110/4885NPC1 4555/4885NFKB1 691/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF XDH 3110/4885NPC1 4555/4885NFKB1 691/4885

“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.