SCHEMBL5353312

SCHEMBL5353312

CN1CCCC1COc1cccc(NC(=O)Nc2csc(Cl)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.43
CHRNA4 P43681 5/20 0.43
CHRNA7 P36544 4/20 0.43
CHRNA5 P30532 2/20 0.42
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41

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
SCHEMBL14558861 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA5CCNA2
SCHEMBL5348148 0.90 CDK5 (0.45) CHRNB2CHRNA4CDK5CDK5R1CHRNB4
SCHEMBL5346420 0.90 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14558859 0.90 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5338086 0.88 BTK (0.41) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14558846 0.88 BTK (0.41) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5343196 0.86 ACKR3 (0.52) CHRNB2CCNA2CDK2CCNA1CDK5
SCHEMBL5343217 0.86 ACKR3 (0.52) CHRNB2CCNA2CDK2CCNA1CDK5
SCHEMBL14558502 0.86 CDK5 (0.56) CHRNB2CHRNA4CHRNA7CDK5CDK5R1
SCHEMBL5338445 0.86 CDK5 (0.56) CHRNB2CHRNA4CHRNA7CDK5CDK5R1

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 11 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
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 CHRNB2 4867/4885CHRNA4 4873/4885CHRNA7 4804/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CHRNB2 4867/4885CHRNA4 4873/4885CHRNA7 4804/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CHRNB2 4867/4885CHRNA4 4873/4885CHRNA7 4804/4885

“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.