SCHEMBL8770116

SCHEMBL8770116

COc1ccc(-c2nc(C(=O)Nc3ccc4nc(-c5ccc(N6CCOCC6)cc5)[nH]c4c3)c(C)[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.56
SIRT2 Q8IXJ6 2/20 0.55
SIRT1 Q96EB6 2/20 0.55
FLT3 P36888 1/20 0.52
KDR P35968 2/20 0.50
BRD4 O60885 3/20 0.49
SLC2A1 P11166 1/20 0.47
PDPK1 O15530 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL27936962 0.92 SIRT2 (0.52) CHEK2SIRT2SIRT1FLT3KDR
SCHEMBL8769876 0.85 CHEK2 (0.63) CHEK2SIRT2SIRT1KDRSLC2A1
SCHEMBL8029822 0.83 CHEK2 (0.67) CHEK2SIRT2SIRT1KDR
SCHEMBL1664280 0.79 LRRK2 (0.56) CHEK2SIRT2SIRT1L3MBTL1
SCHEMBL8771605 0.78 SIRT2 (0.59) CHEK2SIRT2SIRT1FLT3SLC2A1
SCHEMBL8768791 0.78 CHEK2 (0.58) CHEK2SIRT2SIRT1FLT3BRD4
SCHEMBL8775302 0.76 SIRT2 (0.58) CHEK2SIRT2SIRT1SLC2A1
SCHEMBL8769468 0.76 ALDH1A1 (0.64) CHEK2SIRT2SIRT1
SCHEMBL8029820 0.76 ALDH1A1 (0.64) CHEK2SIRT2SIRT1
SCHEMBL8770671 0.75 CHEK2 (0.57) CHEK2SIRT2SIRT1SLC2A1

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 12 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-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-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-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-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
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 CHEK2 4422/4885SIRT2 3169/4885SIRT1 3793/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885SIRT2 2953/4885SIRT1 3169/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885SIRT2 2953/4885SIRT1 3169/4885

“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.