SCHEMBL5343196

SCHEMBL5343196

CN1CCC[C@H]1COc1cccc(NC(=O)Nc2csc(-c3ccccc3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
CDK5 Q00535 6/20 0.48
CDK5R1 Q15078 6/20 0.48
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
CHRM3 P20309 4/20 0.44
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB3 Q05901 1/20 0.42

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
SCHEMBL5343217 1.00 ACKR3 (0.52) ACKR3CDK5CDK5R1CCNA2CDK2
SCHEMBL6681307 0.97 ACKR3 (0.49) ACKR3CDK5CDK5R1CCNA2CDK2
SCHEMBL14558880 0.94 CDK5 (0.56) ACKR3CDK5CDK5R1CHRNB4CHRNA3
SCHEMBL5338445 0.94 CDK5 (0.56) ACKR3CDK5CDK5R1CHRNB4CHRNA3
SCHEMBL14558502 0.94 CDK5 (0.56) ACKR3CDK5CDK5R1CHRNB4CHRNA3
SCHEMBL5348501 0.91 CDK5 (0.55) ACKR3CDK5CDK5R1CCNA2CDK2
SCHEMBL14558879 0.88 CDK5 (0.44) ACKR3CDK5CDK5R1CCNA2CDK2
SCHEMBL5345302 0.88 CDK5 (0.44) ACKR3CDK5CDK5R1CCNA2CDK2
SCHEMBL5349483 0.88 CDK5 (0.41) ACKR3CDK5CDK5R1CCNA2CDK2
SCHEMBL14558848 0.88 CDK5 (0.41) ACKR3CDK5CDK5R1CCNA2CDK2

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 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-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 ACKR3 2371/4885CDK5 64/4885CDK5R1 359/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ACKR3 2371/4885CDK5 64/4885CDK5R1 359/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ACKR3 2371/4885CDK5 64/4885CDK5R1 359/4885

“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.