SCHEMBL3980927

SCHEMBL3980927

COc1ccc(Nc2nccc(-c3ccc(C(=O)NCCCN4CCOCC4)s3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.60
GAA P10253 3/20 0.59
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL14100222 0.86 SYK (0.53) SYKGAAABL1BCRCYP2C9
SCHEMBL14100453 0.86 SYK (0.51) SYKGAATDP1ABL1BCR
SCHEMBL14618775 0.85 ALDH1A1 (0.52) SYKGAATDP1MEN1KMT2A
SCHEMBL14100208 0.85 ABL1 (0.52) SYKGAAABL1BCR
SCHEMBL14100195 0.83 ABL1 (0.57) SYKABL1BCRPOLB
SCHEMBL14100281 0.83 SYK (0.53) SYKABL1BCRCYP2C9AKT3
SCHEMBL14100202 0.81 SYK (0.49) SYKABL1BCRAKT3
SCHEMBL14100286 0.80 ABL1 (0.51) SYKABL1BCRAKT3
SCHEMBL14100273 0.80 ABL1 (0.51) SYKABL1BCRAKT3
SCHEMBL14100254 0.80 SYK (0.50) SYKABL1BCRAKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP 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
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
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP 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 607/4885GAA 850/4885TDP1 107/4885

“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.