SCHEMBL5342173

SCHEMBL5342173

CC(=O)n1ncc2cc(C#N)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.61
AURKA O14965 1/20 0.61
DAPK3 O43293 1/20 0.61
CSNK1A1 P48729 1/20 0.61
GSK3A P49840 1/20 0.61
LIMK1 P53667 1/20 0.61
IKBKE Q14164 1/20 0.61
MAPK14 Q16539 1/20 0.61
TAOK1 Q7L7X3 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
DYRK1B Q9Y463 1/20 0.61
CYP11B2 P19099 1/20 0.47
PGR P06401 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
KDM1A O60341 3/20 0.39
CACNA1H O95180 2/20 0.39
DYRK1A Q13627 1/20 0.38
SETDB1 Q15047 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL2474316 0.86 CYP11B2 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4014826 0.81 CHEK1 (0.57) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL13263025 0.81 CYP11B2 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3928400 0.78 DYRK1B (0.69) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL13748528 0.78 CHEK1 (0.69) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4289695 0.76 CHEK1 (0.67) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1141404 0.76 CHEK1 (0.67) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17373903 0.76 CHEK1 (0.67) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL7219801 0.76 KDM1A (0.51) CYP11B2PGRKDM1ACACNA1H
SCHEMBL30630539 0.76 KDM1A (0.51) CYP11B2PGRKDM1ACACNA1H

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 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 (4 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 CHEK1 30/4885AURKA 1809/4885DAPK3 1109/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CHEK1 30/4885AURKA 1809/4885DAPK3 1109/4885
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 CHEK1 2125/4885AURKA 3221/4885DAPK3 1087/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CHEK1 30/4885AURKA 1809/4885DAPK3 1109/4885

“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.