SCHEMBL4142846

SCHEMBL4142846

[CH2]N1C(C)(C)CCCC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
Pempidine SCHEMBL4798468 0.69 TSHR (0.58) TSHRNFKB1CYP2C19
Pempidine SCHEMBL217663 0.69 TSHR (0.58) TSHRNFKB1CYP2C19
SCHEMBL11453005 0.69 TSHR (0.36) TSHRNFKB1CYP2C19
SCHEMBL10812173 0.67 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL20504145 0.67 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL772228 0.67 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL18798641 0.67 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL5346 0.67 TSHR (0.39) TSHRNFKB1CYP2C19
SCHEMBL5441085 0.67 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL703625 0.67 TSHR (0.39) TSHRNFKB1CYP2C19

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 25 patents — showing the first 20. 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-9162972-B2 Method for production of hydroxycarboxylic acid amide compounds and novel arylboronic acid compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-10-20 US disclosed
US-20150011766-A1 METHOD FOR PRODUCTION OF HYDROXYCARBOXYLIC ACID AMIDE COMPOUNDS AND NOVEL ARYLBORONIC ACID COMPOUND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-01-08 US disclosed
EP-2816026-A1 PRODUCTION METHOD FOR HYDROXY-CARBOXYLIC ACID AMIDE COMPOUND, AND NOVEL ARYLBORONIC ACID COMPOUND National University Corporation Nagoya University (JP) 2014-12-24 EP disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8735582-B2 Method for producing carboxylic anhydride and arylboronic acid compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-05-27 US disclosed
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 WO disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US 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
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 (5 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-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO TSHR 2969/4885NFKB1 2136/4885CYP2C19 4794/4885
US-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX TSHR 2356/4885NFKB1 1500/4885CYP2C19 1334/4885
US-20150011766-A1 METHOD FOR PRODUCTION OF HYDROXYCARBOXYLIC ACID AMIDE COMPOUNDS AND NOVEL ARYLBORONIC ACID COMPOUND HCAR2, HCAR1, NCOR2 TSHR 580/4885NFKB1 538/4885CYP2C19 205/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX TSHR 2356/4885NFKB1 1500/4885CYP2C19 1334/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX TSHR 2356/4885NFKB1 1500/4885CYP2C19 1334/4885

“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.