SCHEMBL13836680

SCHEMBL13836680

CC(=O)c1ccc(-n2ncc3cc(N)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.57
AURKA O14965 1/20 0.57
DAPK3 O43293 1/20 0.57
CSNK1A1 P48729 1/20 0.57
GSK3A P49840 1/20 0.57
LIMK1 P53667 1/20 0.57
IKBKE Q14164 1/20 0.57
MAPK14 Q16539 1/20 0.57
TAOK1 Q7L7X3 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
DYRK1B Q9Y463 1/20 0.57
SMO Q99835 7/20 0.54
HSP90AB1 P08238 1/20 0.45
TSHR P16473 1/20 0.44
NR3C1 P04150 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PIM3 Q86V86 1/20 0.40

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 0.87 PLA2G10 (0.53) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL13836976 0.83 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1664262 0.82 ALDH1A1 (0.61) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1666786 0.82 XDH (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL22805865 0.81 NR3C1 (0.59) SMONR3C1CYP11B1CYP11B2
SCHEMBL19533612 0.80 MGLL (0.55) SMONR3C1HPGDPLA2G10MGLL
Isonicotinic Acid SCHEMBL27937036 0.79 PIM3 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29573526 0.78 NR3C1 (0.62) SMONR3C1CYP11B2
SCHEMBL1361065 0.78 NR3C1 (0.62) SMONR3C1CYP11B2
SCHEMBL21295429 0.77 NR3C1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A

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 8 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
CN-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 CN disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
CN-102656141-A Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARM INC 2012-09-05 CN 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 CHEK1 4509/4885AURKA 2934/4885DAPK3 2648/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK1 3260/4885AURKA 2410/4885DAPK3 1257/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK1 3260/4885AURKA 2410/4885DAPK3 1257/4885

“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.