SCHEMBL2407438

SCHEMBL2407438

[c]1cnc2c(c1)ccc1c[c]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MMP8 P22894 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL67915 0.85 CCR1 (0.64) CCR1CCR5CCR8KDM4EGMNN
SCHEMBL2410620 0.82 KDM4E (0.30) CCR1CCR5CCR8KDM4EGMNN
SCHEMBL2523841 0.80 ALDH1A1 (0.42) KDM4ELMNATP53CYP3A4MAPT
SCHEMBL2409386 0.79 CCR1 (0.32) CCR1CCR5CCR8KDM4EGMNN
SCHEMBL9870669 0.77 MAPT (0.33) MAPT
SCHEMBL24827 0.76 CLK1 (0.49) KDM4EHTT
SCHEMBL4154277 0.75 NR4A2 (0.39) CCR1CCR8LMNAMAPTTDP1
SCHEMBL5749261 0.75 ALDH1A1 (0.35) KDM4ELMNAMAPTALOX15TSHR
SCHEMBL21530572 0.74 ALDH1A1 (0.40) KDM4ELMNATP53CYP3A4CYP2D6
SCHEMBL5749219 0.73 HTT (0.40) KDM4EMAPTALOX15TSHRHTT

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
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed
WO-2011105700-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-09-01 WO disclosed
US-20090306368-A1 POLYNUCLEAR COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-10 US disclosed
EP-2093227-A1 POLYNUCLEAR COMPLEX Sumitomo Chemical Company, Limited (JP) 2009-08-26 EP disclosed
US-20090056802-A1 Practical method and means for mechanosynthesis and assembly of precise nanostructures and materials including diamond, programmable systems for performing same; devices and systems produced thereby, and applications thereof RABANI ELI MICHAEL 2009-03-05 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-20090306368-A1 POLYNUCLEAR COMPLEX AP2M1, HNRNPH3, NDUFC2 CCR1 1501/4885CCR5 2328/4885CCR8 2842/4885

“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.