SCHEMBL8769876

SCHEMBL8769876

COc1ccc(-c2ccc3nc(-c4ccc(C(=O)Nc5ccc(N6CCOCC6)cc5)cc4)[nH]c3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.63
SIRT2 Q8IXJ6 1/20 0.59
SIRT1 Q96EB6 1/20 0.59
LRRK2 Q5S007 1/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
NR4A1 P22736 1/20 0.54
MCL1 Q07820 1/20 0.54
FGFR1 P11362 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR3 P22607 1/20 0.53
KDR P35968 1/20 0.53
NPC1 O15118 1/20 0.52
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52
COMT P21964 1/20 0.52
PRSS12 P56730 1/20 0.51
SLC2A1 P11166 1/20 0.51

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
SCHEMBL1664280 0.90 LRRK2 (0.56) CHEK2SIRT2SIRT1LRRK2MAPT
SCHEMBL8771579 0.89 MMP2 (0.59) CHEK2SIRT2SIRT1RAB9AALDH1A1
SCHEMBL8769918 0.89 CHEK2 (0.59) CHEK2SIRT2SIRT1MAPTRAB9A
SCHEMBL8029822 0.88 CHEK2 (0.67) CHEK2SIRT2SIRT1MAPTRAB9A
SCHEMBL8771605 0.87 SIRT2 (0.59) CHEK2SIRT2SIRT1LRRK2MAPT
SCHEMBL8775302 0.85 SIRT2 (0.58) CHEK2SIRT2SIRT1LRRK2ALDH1A1
SCHEMBL8770373 0.85 CHEK2 (0.56) CHEK2SIRT2SIRT1MAPTRAB9A
SCHEMBL8770671 0.85 CHEK2 (0.57) CHEK2SIRT2SIRT1LRRK2MAPT
SCHEMBL8770116 0.85 CHEK2 (0.56) CHEK2SIRT2SIRT1FGFR1FGFR2
SCHEMBL8771568 0.83 SIRT2 (0.56) CHEK2SIRT2SIRT1LRRK2SLC2A1

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.