SCHEMBL2857745

SCHEMBL2857745

Cc1ccc(-c2nc3ccc(N)c(-c4ccc(N)cc4)c3nc2-c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 9/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
BLM P54132 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
APP P05067 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 1/20 0.38
TLR9 Q9NR96 1/20 0.38
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL27658392 0.86 KMT2A (0.54) TDP1MAPTKMT2AMEN1BLM
SCHEMBL2854976 0.84 ALDH1A1 (0.48) TDP1MAPTKMT2AMEN1KDM4E
SCHEMBL2867194 0.84 MAPT (0.47) MAPTKMT2AMEN1ACHEALDH1A1
SCHEMBL6387970 0.79 KMT2A (0.51) TDP1MAPTKMT2AMEN1KDM4E
SCHEMBL6047030 0.78 KCNH2 (0.41) MAPTKMT2AMEN1BLMKDM4E
SCHEMBL2862811 0.74 DHFR (0.46) TDP1MAPTKMT2AMEN1KDM4E
SCHEMBL2864002 0.74 TDP1 (0.58) TDP1MAPTKMT2AMEN1KDM4E
SCHEMBL2857740 0.71 TDP1 (0.45) TDP1MAPTKMT2AMEN1BLM
SCHEMBL22969696 0.70 TDP1 (0.58) TDP1MAPTKMT2AMEN1ACHE
SCHEMBL4248242 0.70 TDP1 (0.48) TDP1MAPTKMT2AMEN1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713101-B1 ELECTRODE FOR ENERGY STORAGE DEVICE AND PROCESS FOR PRODUCING THE SAME UNIV YAMAGUCHI (JP) 2012-10-31 EP disclosed
US-7803898-B2 Aminoquinoxaline compound, polyaminoquinoxaline compound, and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-28 US disclosed
US-20090030176-A1 Aminoquinoxaline Compound, Polyaminoquinoxaline Compound, and Use Thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 US disclosed
EP-1713101-A1 ELECTRODE FOR ENERGY STORAGE DEVICE AND PROCESS FOR PRODUCING THE SAME Yamaguchi University (JP) 2006-10-18 EP disclosed
EP-1705178-A1 AMINOQUINOXALINE COMPOUND, POLYAMINOQUINOXALINE COMPOUND, AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2006-09-27 EP 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 (1 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-20090030176-A1 Aminoquinoxaline Compound, Polyaminoquinoxaline Compound, and Use Thereof PAM, CYC1, QPCT TDP1 1592/4885MAPT 4450/4885KMT2A 513/4885

“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.