SCHEMBL5345842

SCHEMBL5345842

COc1cc(-c2nc(NC(=O)Nc3cccc(OCCN(C)C)n3)cs2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 0.45
CDK5R1 Q15078 9/20 0.45
ROCK1 Q13464 1/20 0.44
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 1/20 0.41
CNR1 P21554 1/20 0.41
HTR7 P34969 1/20 0.40
CDK2 P24941 4/20 0.39
CCNA2 P20248 3/20 0.39
CCNA1 P78396 3/20 0.39
MAPK8 P45983 1/20 0.36
WNT3A P56704 1/20 0.36
CLK2 P49760 2/20 0.36
DYRK1A Q13627 2/20 0.36
MAP4K4 O95819 1/20 0.36
ROS1 P08922 1/20 0.36
PIM1 P11309 1/20 0.36
PHKG2 P15735 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL5352453 0.88 CDK5 (0.58) CDK5CDK5R1ROCK1CYP3A4HTR7
SCHEMBL5338143 0.82 CDK5 (0.56) CDK5CDK5R1ROCK1CYP19A1CYP3A4
SCHEMBL5345302 0.78 CDK5 (0.44) CDK5CDK5R1ROCK1CYP3A4CDK2
SCHEMBL14558879 0.78 CDK5 (0.44) CDK5CDK5R1ROCK1CYP3A4CDK2
SCHEMBL5342576 0.78 CDK5 (0.55) CDK5CDK5R1ROCK1CYP19A1CDK2
SCHEMBL5391405 0.76 CDK5 (0.45) CDK5CDK5R1ROCK1CYP19A1CYP3A4
SCHEMBL5416085 0.75 CDK5 (0.52) CDK5CDK5R1ROCK1CYP19A1CDK2
SCHEMBL5345078 0.74 CDK5 (0.47) CDK5CDK5R1ROCK1CDK2CCNA2
SCHEMBL5345327 0.74 CDK5 (0.40) CDK5CDK5R1ROCK1CYP19A1CYP3A4
SCHEMBL5344310 0.71 CDK5 (0.53) CDK5CDK5R1ROCK1CDK2CCNA2

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 359/4885ROCK1 3731/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885ROCK1 3731/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885ROCK1 3731/4885

“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.