SCHEMBL9228056

SCHEMBL9228056

CCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
KDM4E B2RXH2 5/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALPL P05186 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 2/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 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
SCHEMBL21988536 0.87 CYP1A2 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL31400240 0.87 CYP1A2 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL13311187 0.86 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL29660049 0.86 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL2007559 0.86 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL16215309 0.84 CCR1 (0.58) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL18489879 0.84 CCR1 (0.62) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL13286613 0.84 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4812728 0.84 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL15061960 0.84 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA

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-7411053-B2 Ligand-functionalized/azo compounds and methods of use thereof HARRUNA ISSIFU I 2008-08-12 US disclosed
US-7411053-B2 Ligand-functionalized/azo compounds and methods of use thereof HARRUNA ISSIFU I 2008-08-12 US disclosed
US-20070276104-A1 LIGAND-FUNCTIONALIZED/AZO COMPOUNDS AND METHODS OF USE THEREOF HARRUNA ISSIFU I 2007-11-29 US disclosed
US-20070276104-A1 LIGAND-FUNCTIONALIZED/AZO COMPOUNDS AND METHODS OF USE THEREOF HARRUNA ISSIFU I 2007-11-29 US disclosed
EP-0677293-A1 PHARMACEUTICAL USE OF TERPYRIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-10-18 EP 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-20070276104-A1 LIGAND-FUNCTIONALIZED/AZO COMPOUNDS AND METHODS OF USE THEREOF FLT3, ALK, NECTIN4 CCR1 204/4885CCR5 210/4885CCR8 124/4885

“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.