SCHEMBL4598148

SCHEMBL4598148

C=Cc1cnc(Nc2ccc(C(=O)OC)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
ROCK1 Q13464 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CDK2 P24941 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45

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
SCHEMBL1734213 0.81 MEN1 (0.57) MEN1KMT2AHPGDKDM4ERXFP1
SCHEMBL4597971 0.77 MAPT (0.51) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13227847 0.76 KMT2A (0.78) MEN1KMT2AHPGDKDM4ERXFP1
SCHEMBL4596726 0.76 ALDH1A1 (0.45) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL28398694 0.76 MAPT (0.59) MEN1KMT2AHPGDKDM4ERXFP1
SCHEMBL181754 0.76 ALDH1A1 (0.68) KDM4EALDH1A1MAPTNPC1
SCHEMBL655910 0.75 GSK3A (0.68) AURKA
SCHEMBL1735203 0.75 HDAC1 (0.61) MEN1KMT2AHPGDKDM4ERXFP1
SCHEMBL4598541 0.75 ALDH1A1 (0.44) MEN1KMT2AHPGDKDM4EHDAC3
Methoxymethane SCHEMBL28654566 0.74 ALDH1A1 (0.66) KDM4EALDH1A1MAPTNPC1

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 MEN1 4855/4885KMT2A 4627/4885HPGD 1736/4885

“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.