SCHEMBL1662716

SCHEMBL1662716

Nc1ccc2[nH]c(-c3ccc(OCCO)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.60
HPSE Q9Y251 1/20 0.56
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RXFP1 Q9HBX9 2/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
PLG P00747 4/20 0.52
PLAU P00749 4/20 0.52
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
GLA P06280 2/20 0.51
RECQL P46063 2/20 0.51
GFER P55789 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 4/20 0.50

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
SCHEMBL1662720 0.90 HPSE (0.71) CHEK2HPSEMEN1KMT2ARXFP1
SCHEMBL31289539 0.86 ATP4A (0.55) CHEK2HPSEMEN1KMT2ARXFP1
SCHEMBL8770660 0.84 CHEK2 (0.67) CHEK2PLGPLAUACHEHDAC3
SCHEMBL8768976 0.83 HPSE (0.78) CHEK2HPSEMEN1KMT2ARXFP1
SCHEMBL30533210 0.83 MEN1 (0.73) CHEK2HPSEMEN1KMT2ARXFP1
SCHEMBL1655753 0.83 MEN1 (0.73) CHEK2HPSEMEN1KMT2ARXFP1
SCHEMBL1552781 0.83 CHEK2 (0.65) CHEK2PLGPLAUDHODHHDAC3
SCHEMBL1553010 0.83 CHEK2 (0.83) CHEK2PLGPLAU
SCHEMBL20982723 0.82 CHEK2 (0.61) CHEK2PLGPLAUACHEHDAC3
SCHEMBL14601532 0.82 PDE3B (0.52) CHEK2PLGPLAUALDH1A1SMN1; SMN2

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 4422/4885HPSE 354/4885MEN1 1370/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885HPSE 635/4885MEN1 1395/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885HPSE 635/4885MEN1 1395/4885

“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.