SCHEMBL5338911

SCHEMBL5338911

O=C(Nc1cccc(OCC2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.49
TACR3 P29371 1/20 0.49
CDK5 Q00535 4/20 0.42
CDK5R1 Q15078 4/20 0.42
DYRK1A Q13627 1/20 0.38
CCKAR P32238 1/20 0.37
OPRK1 P41145 1/20 0.37
GLA P06280 1/20 0.37
HDAC1 Q13547 3/20 0.36
ROCK1 Q13464 1/20 0.36
ECE1 P42892 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5342364 0.89 CDK5 (0.43) TACR1TACR3CDK5CDK5R1DYRK1A
SCHEMBL5344159 0.87 CDK5 (0.42) TACR1TACR3CDK5CDK5R1DYRK1A
SCHEMBL5342417 0.83 CDK5 (0.51) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5342085 0.82 AKR1C3 (0.49) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5342637 0.81 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1POLB
SCHEMBL5345440 0.80 CDK5 (0.59) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5348206 0.79 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CYP2C9
SCHEMBL5348239 0.79 CDK5 (0.42) CDK5CDK5R1DYRK1AROCK1POLB
SCHEMBL5342245 0.79 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5348886 0.79 CDK5 (0.48) CDK5CDK5R1DYRK1AROCK1

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 TACR1 1985/4885TACR3 2384/4885CDK5 64/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX TACR1 1985/4885TACR3 2384/4885CDK5 64/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX TACR1 1985/4885TACR3 2384/4885CDK5 64/4885

“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.