SCHEMBL862380

SCHEMBL862380

Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)nc(C(=O)NCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.43
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
STAT3 P40763 1/20 0.36
TLR8 Q9NR97 1/20 0.36
NAMPT P43490 1/20 0.36
FGFR1 P11362 1/20 0.36
TERT O14746 1/20 0.35

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) KMT2A
SCHEMBL841452 0.83 ACKR3 (0.40) ACKR3SMN1; SMN2FGFR1
SCHEMBL862382 0.82 KDM4E (0.38) MEN1KMT2A
SCHEMBL22167019 0.76 ACKR3 (0.40) ACKR3CCNKCDK12IDO1TDO2
SCHEMBL862385 0.75 POLB (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL17481790 0.70 ACKR3 (0.42) ACKR3CCNKCDK12IDO1TDO2
SCHEMBL22166943 0.70 VEGFA (0.44) ACKR3MEN1KMT2ASMN1; SMN2
SCHEMBL26885980 0.69 ALDH1A1 (0.39) ACKR3KMT2ASMN1; SMN2IDO1TDO2
SCHEMBL13535201 0.69 VEGFA (0.47) MEN1CYP2C19KMT2ASMN1; SMN2IDO1
SCHEMBL22166944 0.68 ACHE (0.48) ACKR3TERT

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 ACKR3 560/4885CCNK 2360/4885CDK12 1449/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 ACKR3 560/4885CCNK 2360/4885CDK12 1449/4885

“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.