SCHEMBL5342190

SCHEMBL5342190

Nc1cccc(CN2CCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.51
APP P05067 1/20 0.49
BACE1 P56817 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PRMT6 Q96LA8 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL465821 0.98 CXCR4 (0.53) CXCR4APPBACE1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2149315 0.96 CXCR4 (0.51) CXCR4APPBACE1ALDH1A1KDM4E
SCHEMBL13833160 0.91 CXCR4 (0.56) CXCR4APPBACE1
SCHEMBL18157904 0.87 CXCR4 (0.66) CXCR4ALDH1A1KDM4EHPGDHSD17B10
Bromide SCHEMBL29605492 0.85 CXCR4 (0.63) CXCR4ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL29604003 0.85 CXCR4 (0.63) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20609083 0.85 CXCR4 (0.68) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5348591 0.83 L3MBTL3 (0.50) CXCR4APPBACE1ALDH1A1HRH3
SCHEMBL465722 0.83 CXCR4 (0.65) CXCR4APPBACE1HRH3TDP1
SCHEMBL22650478 0.83 CXCR4 (0.49) CXCR4APPBACE1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1309589-B1 UREA COMPOUNDS AND METHODS OF USES AMGEN INC (US) 2006-03-15 EP disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 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 (4 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CXCR4 2256/4885APP 1316/4885BACE1 1102/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CXCR4 2255/4885APP 1695/4885BACE1 1524/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CXCR4 2256/4885APP 1316/4885BACE1 1102/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CXCR4 2256/4885APP 1316/4885BACE1 1102/4885

“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.