SCHEMBL4878660

SCHEMBL4878660

CN1CCN(c2c(Cl)ccc(N)c2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
RAD52 P43351 1/20 0.47
GAA P10253 2/20 0.45
PTK2B Q14289 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
ADRA2C P18825 3/20 0.44
ALDH1A1 P00352 2/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HRH4 Q9H3N8 5/20 0.40
BCL2A1 Q16548 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR6 P50406 2/20 0.38

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
SCHEMBL8717328 0.79 DRD2 (0.54) KDM4EMAPTPOLBRAD52GAA
SCHEMBL4887016 0.77 MAPT (0.48) KDM4EMAPTPOLBRAD52GAA
SCHEMBL21448015 0.75 DRD2 (0.63) KDM4EMAPTRAD52ADRA2CDRD2
SCHEMBL10126855 0.72 KDM4E (0.61) KDM4EMAPTPOLBRAD52GAA
SCHEMBL30858840 0.71 MAPT (0.67) KDM4EMAPTPOLBRAD52GAA
SCHEMBL22578903 0.71 MAPT (0.62) KDM4EMAPTPOLBRAD52GAA
SCHEMBL520755 0.71 MAPT (0.67) KDM4EMAPTPOLBRAD52GAA
SCHEMBL22858428 0.71 HTR3A (0.52) KDM4EMAPTPOLBRAD52GAA
SCHEMBL21291601 0.70 HRH4 (0.48) ADRA2CHRH4HTR6HTR3A
SCHEMBL15778259 0.70 ADRB2 (0.47) KDM4EMAPTPOLBRAD52GAA

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-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 KDM4E 3962/4885MAPT 3251/4885POLB 3781/4885

“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.