SCHEMBL6068006

SCHEMBL6068006

CCNC(=O)Nc1nc2ccc(-c3c[nH]c(C(=O)OC)c3)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.68
PIK3CA P42336 3/20 0.62
PIK3CG P48736 3/20 0.62
PIK3CD O00329 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53

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
SCHEMBL6068368 0.85 ABL1 (0.71) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL27586321 0.80 ABL1 (0.72) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL6068110 0.79 ABL1 (0.80) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL3662294 0.78 ABL1 (0.59) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL1303763 0.78 PIK3CG (0.75) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL1282877 0.76 ABL1 (0.83) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL6068147 0.76 ABL1 (0.79) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL12543310 0.75 PIK3CG (0.76) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL6067997 0.74 DYRK1A (0.71) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL14189671 0.74 ABL1 (0.70) ABL1PIK3CAPIK3CGPIK3CDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US disclosed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 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-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 ABL1 7/4885PIK3CA 90/4885PIK3CG 376/4885

“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.