SCHEMBL5345645

SCHEMBL5345645

CC(C)N(Cc1cccc(N)n1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
BACE1 P56817 1/20 0.36
CPB2 Q96IY4 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PTGER2 P43116 3/20 0.33
MCHR1 Q99705 2/20 0.33
PSMB5 P28074 1/20 0.33
GBA1 P04062 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL14558310 0.85 XIAP (0.36) XIAPBIRC2BACE1CPB2AAK1
SCHEMBL5428116 0.85 SSTR4 (0.34) AAK1TSHRPTGER2MEN1KMT2A
SCHEMBL5354963 0.83 XIAP (0.37) XIAPBIRC2BACE1KDM4EMAPT
SCHEMBL30912531 0.83 HTR2C (0.45) XIAPBIRC2BACE1CPB2KDM4E
SCHEMBL5010708 0.76 AAK1 (0.38) AAK1TSHRKDM4EMEN1KMT2A
SCHEMBL16798371 0.75 GBA1 (0.43) BACE1AAK1KDM4EGBA1MEN1
SCHEMBL8268663 0.75 USP30 (0.38) XIAPBIRC2AAK1KDM4EMAPT
SCHEMBL2578593 0.74 MEN1 (0.42) KDM4EMEN1KMT2A
SCHEMBL3143341 0.74 MEN1 (0.42) AAK1MEN1KMT2A
SCHEMBL14558308 0.74 SSTR4 (0.35) AAK1HTR2CSLC6A4

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 7 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
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 XIAP 1023/4885BIRC2 3088/4885BACE1 1102/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX XIAP 1023/4885BIRC2 3088/4885BACE1 1102/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX XIAP 1023/4885BIRC2 3088/4885BACE1 1102/4885

“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.