SCHEMBL4288116

SCHEMBL4288116

Cc1ccc(-c2cnc(Nc3ccc(CN4CCN(S(C)(=O)=O)CC4)cn3)s2)cn1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.61
KDR P35968 5/20 0.61
DYRK2 Q92630 2/20 0.49
CDK6 Q00534 1/20 0.49
LYN P07948 1/20 0.47
SRC P12931 1/20 0.47
CDK7 P50613 4/20 0.44
PIK3R1 P27986 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL4294854 0.87 KDR (0.80) CHEK1KDRCDK7
SCHEMBL4294860 0.84 KDR (0.61) CHEK1KDRCDK7KITFLT3
SCHEMBL15450881 0.80 PIK3R1 (0.53) KDRCDK6LYNSRCPIK3R1
SCHEMBL13701567 0.76 CHEK1 (1.00) CHEK1KDRCDK7
SCHEMBL4297337 0.76 CHEK1 (0.72) CHEK1KDRSRCCDK7KIT
SCHEMBL6180735 0.76 KDR (1.00) CHEK1KDRCDK7
SCHEMBL5140798 0.72 CHEK1 (0.60) CHEK1KDRSRCCDK7PIK3R1
SCHEMBL4297814 0.71 KDR (0.63) CHEK1KDRCDK7KITFLT3
SCHEMBL5312754 0.70 DYRK2 (0.49) KDRDYRK2CDK6LYNSRC
SCHEMBL4296371 0.70 KDM4E (0.49) KDRLYNSRCPIK3R1PIK3CA

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
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-1893607-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006135604-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-12-21 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-20090233896-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, PLK1 CHEK1 1/4885KDR 3027/4885DYRK2 505/4885

“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.