SCHEMBL5344667

SCHEMBL5344667

O=C(Nc1cccc(CN2CCC(C(=O)O)CC2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.55
CDK5R1 Q15078 9/20 0.55
ACKR3 P25106 2/20 0.49
DYRK1A Q13627 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
NPY5R Q15761 1/20 0.42
DRD2 P14416 3/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
ROCK1 Q13464 1/20 0.41
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40

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
SCHEMBL5353818 0.91 CDK5 (0.56) CDK5CDK5R1ACKR3DYRK1ACCNA2
SCHEMBL5352424 0.90 CDK5 (0.58) CDK5CDK5R1ACKR3DYRK1ACCNA2
SCHEMBL5345091 0.89 CDK5 (0.51) CDK5CDK5R1ACKR3DYRK1ACCNA2
Hydrochloric Acid SCHEMBL5351328 0.89 CDK5 (0.57) CDK5CDK5R1ACKR3DYRK1ACCNA2
SCHEMBL5342527 0.88 CDK5 (0.60) CDK5CDK5R1ACKR3DYRK1ACCNA2
SCHEMBL5343569 0.88 CDK5 (0.52) CDK5CDK5R1ACKR3DYRK1AL3MBTL1
SCHEMBL5338265 0.88 CDK5 (0.59) CDK5CDK5R1ACKR3DYRK1ACCNA2
SCHEMBL5345598 0.88 CDK5 (0.59) CDK5CDK5R1ACKR3DYRK1ACCNA2
SCHEMBL5339219 0.87 CDK5 (0.53) CDK5CDK5R1ACKR3DYRK1AL3MBTL1
Hydrochloric Acid SCHEMBL5341121 0.87 CDK5 (0.51) CDK5CDK5R1ACKR3DYRK1AL3MBTL1

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 14 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
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
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 CDK5 64/4885CDK5R1 359/4885ACKR3 2371/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 40/4885CDK5R1 244/4885ACKR3 2471/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885ACKR3 2371/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885ACKR3 2371/4885

“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.