SCHEMBL5342364

SCHEMBL5342364

O=C(Nc1cccc(OCC2CCN(C(=O)c3c[nH]c4ccccc34)C2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.43
CDK5R1 Q15078 5/20 0.43
DYRK1A Q13627 1/20 0.39
CHRM2 P08172 1/20 0.38
ROCK1 Q13464 1/20 0.36
HTT P42858 1/20 0.35
MAPK14 Q16539 1/20 0.35
BTK Q06187 2/20 0.35
GRM5 P41594 1/20 0.35
TPSAB1 Q15661 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
AKR1C3 P42330 1/20 0.34

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
SCHEMBL5338911 0.89 TACR1 (0.49) CDK5CDK5R1DYRK1AROCK1TACR1
SCHEMBL5342085 0.86 AKR1C3 (0.49) CDK5CDK5R1DYRK1AROCK1MEN1
SCHEMBL5342637 0.85 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1MEN1
SCHEMBL5342417 0.84 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1DRD2
SCHEMBL5345468 0.84 CDK5 (0.47) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5348239 0.83 CDK5 (0.42) CDK5CDK5R1DYRK1ACHRM2ROCK1
SCHEMBL5342245 0.83 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1KMT2A
SCHEMBL5344159 0.82 CDK5 (0.42) CDK5CDK5R1DYRK1AROCK1HTT
SCHEMBL5341357 0.82 CDK5 (0.42) CDK5CDK5R1DYRK1AROCK1RAB9A
SCHEMBL5342108 0.81 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1RAB9A

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 9 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-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.