SCHEMBL13588385

SCHEMBL13588385

CC(=O)c1cccnc1N1NNN=C1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHIA Q9BZP6 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL13588386 0.89 MYC (0.56) MYCKMT2AKDM4EALDH1A1TDP1
SCHEMBL863139 0.77 MYC (0.42) MYCKDM4EALDH1A1TDP1MAPT
SCHEMBL862954 0.71 MYC (0.56) MYCKDM4EALDH1A1TDP1MAPT
SCHEMBL22731836 0.68 KCNJ1 (0.50) MYCKDM4EALDH1A1TDP1MAPT
SCHEMBL6181431 0.68 EPHX2 (0.52) KMT2AALDH1A1CHIAMAPTL3MBTL1
SCHEMBL29496114 0.67 P2RX7 (0.61) MYCKMT2AP2RX7KDM4EALDH1A1
SCHEMBL7301605 0.67 KDM4E (0.47) MYCKMT2AP2RX7KDM4EALDH1A1
SCHEMBL70978 0.67 P2RX7 (0.61) MYCKMT2AP2RX7KDM4EALDH1A1
SCHEMBL16544035 0.67 HCRTR2 (0.49) MYCKMT2AKDM4EALDH1A1TDP1
SCHEMBL28059131 0.67 ALDH1A1 (0.61) KMT2AKDM4EALDH1A1CHIAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329721-B2 Hydroxy and alkoxy substituted 1H-imidazonaphthyridines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 US disclosed
US-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS PFIZER INC. 2009-12-03 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 (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-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS IL2, IL4, IFNG MYC 165/4885KMT2A 3588/4885P2RX7 1968/4885

“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.