SCHEMBL5345281

SCHEMBL5345281

C[C@H]1CCCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.54
CDK5R1 Q15078 9/20 0.54
DYRK1A Q13627 1/20 0.48
LMNA P02545 2/20 0.43
ROCK1 Q13464 1/20 0.41
DRD2 P14416 2/20 0.40
PIN1 Q13526 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ACKR3 P25106 1/20 0.37

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
SCHEMBL5347630 1.00 CDK5 (0.54) CDK5CDK5R1DYRK1ALMNAROCK1
SCHEMBL5341523 1.00 CDK5 (0.54) CDK5CDK5R1DYRK1ALMNAROCK1
SCHEMBL5342983 0.94 CDK5 (0.47) CDK5CDK5R1DYRK1ALMNADRD2
SCHEMBL5339135 0.90 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1DRD2
SCHEMBL5352424 0.89 CDK5 (0.58) CDK5CDK5R1DYRK1AROCK1DRD2
SCHEMBL5348871 0.89 CDK5 (0.55) CDK5CDK5R1DYRK1ALMNAROCK1
SCHEMBL5345091 0.89 CDK5 (0.51) CDK5CDK5R1DYRK1ADRD2HTR2A
Hydrochloric Acid SCHEMBL5351328 0.88 CDK5 (0.57) CDK5CDK5R1DYRK1AROCK1DRD2
Hydrochloric Acid SCHEMBL5342391 0.88 CDK5 (0.55) CDK5CDK5R1DYRK1ALMNAROCK1
SCHEMBL5345568 0.88 CDK5 (0.51) CDK5CDK5R1DYRK1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP claimed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US claimed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US claimed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US claimed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO claimed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US claimed
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-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
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 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 (3 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 359/4885DYRK1A 1751/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885DYRK1A 1751/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885DYRK1A 1751/4885

“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.