SCHEMBL14100366

SCHEMBL14100366

COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CN5CCN(C)CC5)c4)n3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.52
JAK3 P52333 4/20 0.52
SYK P43405 5/20 0.49
ABL1 P00519 2/20 0.49
PDGFRB P09619 1/20 0.49
BCR P11274 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.49
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
ROCK1 Q13464 4/20 0.45
ROCK2 O75116 2/20 0.45
ACP1 P24666 1/20 0.45
KIT P10721 1/20 0.44
ABL2 P42684 1/20 0.44
AKT3 Q9Y243 1/20 0.44
AIMP2 Q13155 1/20 0.44
CDK2 P24941 2/20 0.44
CCNA2 P20248 1/20 0.44
CCNA1 P78396 1/20 0.44

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
SCHEMBL14100505 0.94 KLKB1 (0.46) JAK2JAK3SYKABL1PDGFRB
SCHEMBL14100374 0.94 KLKB1 (0.46) JAK2JAK3SYKABL1PDGFRB
SCHEMBL14100336 0.93 AKT3 (0.53) JAK2JAK3SYKABL1PDGFRB
SCHEMBL14100291 0.92 SYK (0.45) JAK2JAK3SYKABL1PDGFRB
SCHEMBL14100348 0.92 JAK2 (0.52) JAK2JAK3SYKABL1BCR
SCHEMBL14100340 0.91 SYK (0.56) JAK2JAK3SYKABL1PDGFRB
SCHEMBL14100320 0.90 JAK2 (0.51) JAK2JAK3SYKSRCROCK1
SCHEMBL14100204 0.89 RET (0.51) SYKROCK1ROCK2AKT3CDK2
SCHEMBL14100288 0.88 AKT3 (0.45) JAK2JAK3SYKABL1PDGFRB
SCHEMBL14100353 0.88 JAK2 (0.52) JAK2JAK3SYKABL1BCR

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 JAK2 1688/4885JAK3 1221/4885SYK 607/4885

“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.