SCHEMBL8767400

SCHEMBL8767400

O=C(N/N=C/c1cccc(/C=N/NC(=O)c2ccc(-n3ccnc3)cc2)c1)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA9 Q16790 1/20 0.68
MAPT P10636 5/20 0.63
POLB P06746 3/20 0.63
RAB9A P51151 4/20 0.61
NPC1 O15118 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.57
CYP2D6 P10635 1/20 0.56
TDP1 Q9NUW8 2/20 0.52
PLEC Q15149 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
AHR P35869 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
SCHEMBL12937912 0.90 POLB (0.60) CA12CA1CA2CA9MAPT
SCHEMBL12937909 0.87 CA12 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL12937914 0.87 CA12 (0.54) CA12CA1CA2CA9MAPT
SCHEMBL8769050 0.85 POLB (0.72) CA12CA1CA2CA9MAPT
SCHEMBL11974299 0.81 CA12 (0.57) CA12CA1CA2CA9MAPT
SCHEMBL8769257 0.75 CA2 (0.65) CA12CA1CA2CA9MAPT
SCHEMBL8767795 0.74 HDAC3 (0.72) MAPTPOLBRAB9ANPC1CYP2D6
SCHEMBL12937846 0.74 POLB (0.70) MAPTPOLBRAB9ANPC1L3MBTL1
SCHEMBL8771811 0.74 TDP1 (0.62) CA12CA1CA2CA9MAPT
SCHEMBL13569015 0.74 TDP1 (0.65) CA12CA1CA2CA9MAPT

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 7 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
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 CA12 2929/4885CA1 4296/4885CA2 4195/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CA12 3841/4885CA1 4228/4885CA2 4124/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CA12 3841/4885CA1 4228/4885CA2 4124/4885

“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.