SCHEMBL15082607

SCHEMBL15082607

Cc1ccnc(-c2cc(Cc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.71
CCR5 P51681 2/20 0.71
CCR8 P51685 2/20 0.71
METAP2 P50579 1/20 0.50
UHRF1 Q96T88 1/20 0.46
CYP2A6 P11509 1/20 0.46
NOS2 P35228 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PLAU P00749 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
HPGD P15428 1/20 0.36
GRIN2D O15399 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
SCHEMBL29693673 0.88 CCR1 (0.71) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL23037127 0.88 CCR1 (0.71) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL8425645 0.86 CCR1 (0.68) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL6882727 0.85 CCR1 (0.61) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL181893 0.84 CCR1 (1.00) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL29397106 0.84 CCR1 (1.00) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL29680018 0.84 CCR1 (0.65) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL29693626 0.84 CCR1 (0.65) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL29978828 0.84 CCR1 (0.65) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL3958545 0.84 CCR1 (0.65) CCR1CCR5CCR8METAP2UHRF1

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-20130172308-A1 ANTIMICROBIAL AGENTS JOHN GRANT COLLINS (AU) 2013-07-04 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-20130172308-A1 ANTIMICROBIAL AGENTS IMMT, NDUFS5, MT-ND5 CCR1 2232/4885CCR5 881/4885CCR8 2042/4885

“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.