SCHEMBL5339010

SCHEMBL5339010

CC1CCCCN1Cc1cccc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HRH3 Q9Y5N1 4/20 0.44
APP P05067 1/20 0.41
BACE1 P56817 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTAFR P25105 1/20 0.39
LTA4H P09960 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 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
SCHEMBL5345099 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL5339239 0.81 KDM4E (0.50) ALDH1A1KDM4EPOLBAPPBACE1
SCHEMBL28055712 0.76 KMT2A (0.53) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL5338801 0.76 KDM4E (0.57) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL465821 0.75 CXCR4 (0.53) ALDH1A1KDM4EHRH3APPBACE1
SCHEMBL5343452 0.75 ACHE (0.50) ALDH1A1HRH3APPBACE1DRD2
SCHEMBL5691867 0.74 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL5348801 0.74 CYP1A2 (0.51) POLBAPPBACE1SMN1; SMN2
SCHEMBL5342190 0.73 CXCR4 (0.51) ALDH1A1KDM4EPOLBMAPTHRH3
Hydrochloric Acid SCHEMBL2149315 0.73 CXCR4 (0.51) ALDH1A1KDM4EHRH3APPBACE1

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 8 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
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
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

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 ALDH1A1 810/4885KDM4E 2714/4885KMT2A 4374/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX ALDH1A1 865/4885KDM4E 1709/4885KMT2A 4114/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ALDH1A1 810/4885KDM4E 2714/4885KMT2A 4374/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ALDH1A1 810/4885KDM4E 2714/4885KMT2A 4374/4885

“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.