SCHEMBL14100202

SCHEMBL14100202

COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4ccc(CCN5CCOCC5)cc4)n3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.49
ABL1 P00519 3/20 0.48
BCR P11274 3/20 0.48
STAT6 P42226 1/20 0.46
IGF1R P08069 1/20 0.45
AKT3 Q9Y243 3/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MTOR P42345 1/20 0.43
SMG1 Q96Q15 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
FGFR1 P11362 1/20 0.43
AVPR1B P47901 1/20 0.43
RET P07949 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
SCHEMBL14100204 0.93 RET (0.51) SYKAKT3ROCK2ROCK1RET
SCHEMBL14100373 0.93 JAK2 (0.51) SYKSTAT6AKT3ROCK2ROCK1
SCHEMBL14100222 0.92 SYK (0.53) SYKABL1BCRIGF1RAKT3
SCHEMBL14100205 0.92 AKT3 (0.45) SYKABL1BCRAKT3ROCK2
SCHEMBL14100208 0.92 ABL1 (0.52) SYKABL1BCRSTAT6ROCK2
SCHEMBL14100213 0.91 AKT3 (0.44) IGF1RAKT3ROCK1JAK2JAK3
SCHEMBL14100273 0.90 ABL1 (0.51) SYKABL1BCRSTAT6AKT3
SCHEMBL14100253 0.90 ABL1 (0.56) SYKABL1BCRAKT3MTOR
SCHEMBL14100189 0.90 ABL1 (0.49) SYKABL1BCRIGF1RMTOR
SCHEMBL14100254 0.89 SYK (0.50) SYKABL1BCRAKT3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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 (1 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB SYK 607/4885ABL1 105/4885BCR 1745/4885

“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.