SCHEMBL14005223

SCHEMBL14005223

CN1CCN(C(=O)c2cnc(N/N=C/c3ccc(CNc4ncccn4)cc3)nc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.54
NTRK1 P04629 3/20 0.38
STAT6 P42226 1/20 0.37
CNR2 P34972 7/20 0.37
VNN1 O95497 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
DDX3X O00571 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK10 P53779 1/20 0.35
PTK2 Q05397 1/20 0.35
ADORA2A P29274 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
SCHEMBL13879825 0.72 CXCR4 (0.70) CXCR4NTRK1CNR2VNN1KDM4E
SCHEMBL13879823 0.72 CXCR4 (0.60) CXCR4NTRK1CNR2ACHEKDM4E
SCHEMBL14005210 0.71 CXCR4 (0.48) CXCR4CNR2MAPTADORA2A
SCHEMBL14005000 0.71 NPC1 (0.45) DDX3XKDM4EMAPTADORA2A
SCHEMBL13879826 0.70 CXCR4 (1.00) CXCR4NTRK1CNR2VNN1KDM4E
SCHEMBL14272902 0.70 CXCR4 (0.81) CXCR4CNR2KDM4EADORA2A
SCHEMBL13879827 0.70 CXCR4 (0.86) CXCR4NTRK1CNR2KDM4EMAPT
SCHEMBL3382420 0.68 CNR2 (0.60) NTRK1CNR2
SCHEMBL76465 0.67 SCD (0.51) CXCR4
SCHEMBL12796227 0.64 LRRK2 (0.48) CXCR4CNR2

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
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 CXCR4 3/4885NTRK1 1878/4885STAT6 854/4885

“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.