SCHEMBL4889156

SCHEMBL4889156

Clc1cc(-c2ccncc2)nc(-c2ccccn2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.77
CCR5 P51681 3/20 0.77
CCR8 P51685 3/20 0.77
KDM4E B2RXH2 6/20 0.50
TP53 P04637 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALPL P05186 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
CYP1A2 P05177 2/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL517337 0.88 CCR1 (1.00) CCR1CCR5CCR8KDM4ETP53
SCHEMBL1617719 0.86 CCR1 (0.96) CCR1CCR5CCR8KDM4ETP53
SCHEMBL7109447 0.85 CCR1 (0.74) CCR1CCR5CCR8KDM4ETP53
SCHEMBL21385116 0.84 MAPK1 (0.50) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL11996129 0.83 CCR1 (0.51) CCR1CCR5CCR8KDM4ETP53
SCHEMBL9227622 0.82 CCR1 (0.58) CCR1CCR5CCR8KDM4ETP53
SCHEMBL30279888 0.82 CCR1 (0.58) CCR1CCR5CCR8KDM4ETP53
SCHEMBL14297268 0.81 CCR1 (0.56) CCR1CCR5CCR8KDM4ETP53
SCHEMBL29359433 0.80 KDM4E (0.72) CCR1CCR5CCR8KDM4ETP53
SCHEMBL7110344 0.80 CCR1 (0.66) CCR1CCR5CCR8KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033162-A1 Water-Soluble Cellulose Derivative Comprising A Ligand AKZO NOBEL N.V. (NL) 2008-02-07 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-20080033162-A1 Water-Soluble Cellulose Derivative Comprising A Ligand MGAM, CLEC4M, MGAM2 CCR1 207/4885CCR5 302/4885CCR8 322/4885

“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.