SCHEMBL862382

SCHEMBL862382

Cc1cc(CN2CCNCCNCC2)nc(C(=O)NCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACVR1 Q04771 1/20 0.36
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CHRM3 P20309 5/20 0.35
MCHR1 Q99705 1/20 0.35
USP28 Q96RU2 2/20 0.34
USP25 Q9UHP3 1/20 0.34
CXCR4 P61073 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AKT1 P31749 1/20 0.33
SLC2A1 P11166 1/20 0.33
HTR1A P08908 1/20 0.32
P2RX7 Q99572 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
SCHEMBL862163 0.84 GSK3B (0.35) KDM4EGAAKMT2AHTR1A
SCHEMBL842226 0.81 CHRM3 (0.36) GAAACVR1CHRM3MCHR1DDR1
SCHEMBL862385 0.79 POLB (0.37) MEN1KMT2A
SCHEMBL862549 0.78 POLB (0.36) MEN1KMT2A
SCHEMBL862167 0.72 KDM4E (0.38) KDM4EHTR1A
SCHEMBL22167004 0.69 SYK (0.39) KDM4EMEN1KMT2AKDM5CKDM4C
SCHEMBL11303140 0.67 BRD4 (0.41)
SCHEMBL11303038 0.67 KDM5C (0.38) KDM4EKMT2AKDM5CKDM4C
SCHEMBL10882977 0.66 HSD17B10 (0.54) KDM4EGAAHSD17B10L3MBTL1MEN1
SCHEMBL25533169 0.65 LMNA (0.41) KDM4EMEN1KMT2ACXCR4

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
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 KDM4E 3409/4885GAA 371/4885HSD17B10 4864/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 KDM4E 3409/4885GAA 371/4885HSD17B10 4864/4885

“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.