SCHEMBL1721603

SCHEMBL1721603

COC(=O)c1cc2nc(Cl)c(NNc3ccccc3)nc2cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PLIN1 O60240 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
PLIN5 Q00G26 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL1723558 0.80 KDM4E (0.45) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28790514 0.80 PGK1 (0.38) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1721360 0.80 PGK1 (0.40) KDM4ESMN1; SMN2MAPTRXFP1L3MBTL1
SCHEMBL28790516 0.79 PTGS2 (0.39) KDM4EMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL12043375 0.75 ALDH1A1 (0.41) KDM4EKMT2ALMNASMN1; SMN2TP53
SCHEMBL10053819 0.75 GAA (0.42) KDM4EKMT2ASMN1; SMN2TP53MAPT
SCHEMBL470985 0.74 ALDH1A1 (0.39) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7900279 0.74 P2RX7 (0.41) KDM4EKMT2ALMNASMN1; SMN2TP53
SCHEMBL1721967 0.74 GAA (0.43) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL15374849 0.73 GRM1 (0.33) KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP disclosed
US-8674096-B2 Substituted imidazo[1,5-a]quinoxalin-4-ones as phosphodiesterase 9 inhibitors ASTELLAS PHARMA INC. (JP) 2014-03-18 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US 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 (2 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A KDM4E 1337/4885MEN1 3293/4885KMT2A 3086/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A KDM4E 641/4885MEN1 2870/4885KMT2A 2038/4885

“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.