SCHEMBL5345477

SCHEMBL5345477

O=C(NCc1cccnc1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.67
ROCK1 Q13464 2/20 0.67
CDK5 Q00535 2/20 0.59
CDK5R1 Q15078 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.54
NAMPT P43490 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.52
FES P07332 1/20 0.51
RET P07949 1/20 0.51
MARK3 P27448 1/20 0.51
TYK2 P29597 1/20 0.51
FLT4 P35916 1/20 0.51
SYK P43405 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
GPR142 Q7Z601 1/20 0.50

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
SCHEMBL5788420 0.84 CDK5 (0.70) CDK5CDK5R1MAPK1GPR142NPC1
SCHEMBL5338589 0.81 CDK5 (0.72) ROCK2ROCK1CDK5CDK5R1SMN1; SMN2
SCHEMBL5341105 0.80 CDK5 (0.81) ROCK1CDK5CDK5R1MAPK1MEN1
SCHEMBL2557684 0.80 ROCK1 (1.00) ROCK2ROCK1
SCHEMBL5345865 0.79 CDK5 (0.63) CDK5CDK5R1MAPK1NPC1
SCHEMBL5343040 0.77 CYP19A1 (0.62) ROCK2ROCK1CDK5CDK5R1SMN1; SMN2
SCHEMBL29460250 0.76 FES (0.81) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL9130703 0.76 FES (0.81) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL7056328 0.75 CDK5 (0.68) ROCK1CDK5CDK5R1MAPK1MEN1
SCHEMBL5345431 0.75 CDK5 (0.78) ROCK1CDK5CDK5R1MAPK1MEN1

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 13 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-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 ROCK2 4514/4885ROCK1 3731/4885CDK5 64/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX ROCK2 4409/4885ROCK1 3616/4885CDK5 40/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ROCK2 4514/4885ROCK1 3731/4885CDK5 64/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ROCK2 4514/4885ROCK1 3731/4885CDK5 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.