SCHEMBL5348591

SCHEMBL5348591

Nc1cccc(CN2CCC(N3CCCC3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.50
MBTD1 Q05BQ5 4/20 0.50
L3MBTL1 Q9Y468 6/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
TP53BP1 Q12888 1/20 0.46
CXCR4 P61073 2/20 0.43
APP P05067 1/20 0.41
BACE1 P56817 1/20 0.41
MAPT P10636 1/20 0.41
TRPV6 Q9H1D0 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MCHR1 Q99705 1/20 0.39
KDM1A O60341 1/20 0.39

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 0.85 CXCR4 (0.53) L3MBTL1ALDH1A1CXCR4APPBACE1
Hydrochloric Acid SCHEMBL2149315 0.83 CXCR4 (0.51) ALDH1A1CXCR4APPBACE1HRH3
SCHEMBL5342190 0.83 CXCR4 (0.51) L3MBTL1ALDH1A1CXCR4APPBACE1
SCHEMBL5346879 0.83 L3MBTL3 (0.57) L3MBTL3MBTD1L3MBTL1ALDH1A1TSHR
SCHEMBL7795527 0.82 ITGB3 (0.47) L3MBTL1ALDH1A1RECQLAPPBACE1
SCHEMBL7661481 0.82 CXCR4 (0.47) L3MBTL1TSHRCXCR4APPBACE1
SCHEMBL13833160 0.81 CXCR4 (0.56) CXCR4APPBACE1CHRM2CHRM1
SCHEMBL5343452 0.81 ACHE (0.50) ALDH1A1CXCR4APPBACE1CHRM2
SCHEMBL5343494 0.81 CXCR4 (0.46) L3MBTL1CXCR4APPBACE1MAPT
Hydrochloric Acid SCHEMBL7474977 0.81 CXCR4 (0.46) L3MBTL1TSHRCXCR4APPBACE1

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 L3MBTL3 989/4885MBTD1 2755/4885L3MBTL1 854/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX L3MBTL3 1733/4885MBTD1 3505/4885L3MBTL1 2068/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX L3MBTL3 989/4885MBTD1 2755/4885L3MBTL1 854/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX L3MBTL3 989/4885MBTD1 2755/4885L3MBTL1 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.