SCHEMBL5345309

SCHEMBL5345309

CC(C)(C)OC(=O)N1CCC(COc2cccc(NC(=O)Nc3csc(-c4ccccc4)n3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.49
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CDK5 Q00535 5/20 0.43
CDK5R1 Q15078 5/20 0.43
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
PRMT5 O14744 1/20 0.41
USP30 Q70CQ3 2/20 0.41
PTPRB P23467 1/20 0.40
YAP1 P46937 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
STS P08842 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL5341555 0.94 CDK5 (0.50) ACKR3CDK5CDK5R1GPR119
SCHEMBL14558881 0.93 ACKR3 (0.48) ACKR3KDM4EPKMCDK5CDK5R1
SCHEMBL5347051 0.92 ACKR3 (0.46) ACKR3CDK5CDK5R1CCNA2CDK2
SCHEMBL5348206 0.90 CDK5 (0.49) ACKR3CDK5CDK5R1USP30GPR119
SCHEMBL5354930 0.88 KDM4E (0.41) KDM4EPKMGPR119
SCHEMBL5346218 0.88 KDM4E (0.43) KDM4EPKMCDK5CDK5R1CCNA2
SCHEMBL5346925 0.87 CDK5 (0.54) ACKR3CDK5CDK5R1CCNA2CDK2
SCHEMBL5344526 0.87 CDK5 (0.49) ACKR3KDM4EPKMCDK5CDK5R1
SCHEMBL14558453 0.86 CDK5 (0.49) ACKR3CDK5CDK5R1CCNA2CDK2
SCHEMBL14558929 0.84 CDK5 (0.43) ACKR3CDK5CDK5R1USP30

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 ACKR3 2371/4885KDM4E 2714/4885PKM 580/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ACKR3 2371/4885KDM4E 2714/4885PKM 580/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ACKR3 2371/4885KDM4E 2714/4885PKM 580/4885

“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.