SCHEMBL5344859

SCHEMBL5344859

CN(C)Cc1ccc(OCc2cccc(NC(=O)C(C)(C)C)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.45
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
ALOX5 P09917 1/20 0.41
GBA1 P04062 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER2 P43116 2/20 0.39
LSS P48449 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NOS1 P29475 1/20 0.38
PDE1A P54750 1/20 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
SCHEMBL5342803 0.85 PDE5A (0.49) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
Dimethylamine SCHEMBL5344867 0.83 PDE5A (0.47) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3929270 0.82 PDE5A (0.47) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL124547 0.77 CYP1A2 (0.44) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21211527 0.76 ADORA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL5345637 0.76 CDK5 (0.53) PDE5AGBA1
SCHEMBL3926995 0.74 GRM5 (0.44) GBA1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3926330 0.74 ITGB1 (0.47) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5338014 0.73 NOS1 (0.59) ALOX5NOS1
SCHEMBL3928490 0.72 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A

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 PDE5A 1638/4885CHRNB2 4867/4885CHRNB4 4866/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX PDE5A 872/4885CHRNB2 4825/4885CHRNB4 4845/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX PDE5A 1638/4885CHRNB2 4867/4885CHRNB4 4866/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX PDE5A 1638/4885CHRNB2 4867/4885CHRNB4 4866/4885

“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.