SCHEMBL1684860

SCHEMBL1684860

CC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.77
PRKD3 O94806 1/20 0.77
MAP4K4 O95819 1/20 0.77
PIM1 P11309 1/20 0.77
RPS6KB1 P23443 1/20 0.77
FLT4 P35916 1/20 0.77
FLT3 P36888 1/20 0.77
MAPK8 P45983 1/20 0.77
MAPK9 P45984 1/20 0.77
CSNK1D P48730 1/20 0.77
GSK3A P49840 1/20 0.77
GSK3B P49841 1/20 0.77
CSNK2A1 P68400 1/20 0.77
DYRK1A Q13627 1/20 0.77
TAOK1 Q7L7X3 1/20 0.77
PIM3 Q86V86 1/20 0.77
PRKD2 Q9BZL6 1/20 0.77
HIPK2 Q9H2X6 1/20 0.77
CLK4 Q9HAZ1 1/20 0.77
IRAK4 Q9NWZ3 1/20 0.77

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
SCHEMBL1684751 0.90 CSNK2A1 (0.77) CDK2PRKD3MAP4K4PIM1RPS6KB1
Bromide SCHEMBL18040664 0.89 MAPT (0.77) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL1684637 0.87 PRKD3 (1.00) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL1684622 0.87 MAPT (0.98) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL3688533 0.87 CSNK2A1 (0.76) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL4148720 0.87 SYK (0.62) CDK2PRKD3MAP4K4PIM1RPS6KB1
Bromide SCHEMBL18040695 0.86 PRKD3 (0.98) CDK2PRKD3MAP4K4PIM1RPS6KB1
Bromide SCHEMBL18040791 0.86 MAPT (1.00) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL1684929 0.85 MAPT (0.81) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL1684697 0.85 MAPT (0.81) CDK2PRKD3MAP4K4PIM1RPS6KB1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306836-B1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2016-09-07 EP claimed
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US claimed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 US claimed
EP-2306836-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2011-04-13 EP claimed
WO-2010002985-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2010-01-07 WO claimed
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-20 US claimed
EP-1804803-A4 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-07-30 EP claimed
CN-101083996-A Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2007-12-05 CN claimed
EP-1804803-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2007-07-11 EP claimed
WO-2006050351-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2006-05-11 WO claimed
EP-3111956-B1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2019-05-08 EP disclosed
EP-3111956-A1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2017-01-04 EP disclosed
EP-2306836-B1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2016-09-07 EP disclosed
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US disclosed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-20 US disclosed
EP-1804803-A4 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-07-30 EP disclosed
CN-101083996-A Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2007-12-05 CN disclosed
EP-1804803-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2007-07-11 EP disclosed
WO-2006050351-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2006-05-11 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 (2 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-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS BMI1, CREBBP, BAZ2A CDK2 1442/4885PRKD3 1504/4885MAP4K4 3451/4885
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CDK2 1149/4885PRKD3 1077/4885MAP4K4 2820/4885

“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.