SCHEMBL2862811

SCHEMBL2862811

Nc1ccc(-c2c(N)ccc3nc(-c4cccs4)c(-c4cccs4)nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
RPS6KB2 Q9UBS0 6/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
GLA P06280 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNH2 Q12809 1/20 0.42
ADORA2A P29274 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADK P55263 1/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 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
SCHEMBL2861013 0.85 MAPT (0.52) DHFRRPS6KB2NPC1RAB9AMAPT
SCHEMBL27658392 0.79 KMT2A (0.54) DHFRNPC1RAB9AGLAKDM4E
SCHEMBL6047030 0.77 KCNH2 (0.41) NPC1RAB9AGLAKDM4EMAPT
SCHEMBL2860819 0.75 DHFR (0.54) DHFRRPS6KB2NPC1RAB9AGLA
SCHEMBL2857745 0.74 TDP1 (0.44) NPC1RAB9AGLAKDM4ETP53
SCHEMBL6237894 0.73 RPS6KB2 (0.64) DHFRRPS6KB2NPC1RAB9AGLA
SCHEMBL27643402 0.72 NPC1 (0.45) DHFRRPS6KB2NPC1RAB9AGLA
SCHEMBL6387970 0.71 KMT2A (0.51) DHFRNPC1RAB9AGLAKDM4E
SCHEMBL2854976 0.71 ALDH1A1 (0.48) DHFRNPC1RAB9AKDM4ETP53
SCHEMBL2862807 0.71 MEN1 (0.49) DHFRRPS6KB2NPC1RAB9AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 DHFR 721/4885RPS6KB2 2828/4885NPC1 3998/4885

“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.