SCHEMBL8768019

SCHEMBL8768019

O=C(N/N=C/c1cncc(/C=N/NC(=O)c2ccc(N3CCOCC3)cc2)c1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.71
MAPT P10636 11/20 0.71
KDM4E B2RXH2 9/20 0.71
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
POLB P06746 3/20 0.71
CA12 O43570 3/20 0.64
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64
CA9 Q16790 3/20 0.64
RAB9A P51151 3/20 0.56
PKM P14618 2/20 0.56
NPC1 O15118 2/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTT P42858 1/20 0.54
FAAH O00519 1/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 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
SCHEMBL8768854 0.88 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL25421511 0.83 MAPT (0.82) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL25421518 0.83 MAPT (0.82) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8769257 0.78 CA2 (0.65) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8769887 0.75 POLB (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8768945 0.74 MPO (0.70) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL17975142 0.73 KDM4E (0.61) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10061533 0.73 CA2 (0.72) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13568886 0.71 TDP1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14880168 0.70 HDAC6 (0.82) ALDH1A1MAPTKDM4EMEN1KMT2A

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 ALDH1A1 3228/4885MAPT 4622/4885KDM4E 3484/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885MAPT 4411/4885KDM4E 1944/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885MAPT 4411/4885KDM4E 1944/4885

“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.