SCHEMBL6001679

SCHEMBL6001679

O=C(c1ccccc1)c1cc2cc3ccccc3cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.67
CLK1 P49759 4/20 0.67
DYRK1B Q9Y463 4/20 0.67
HSD17B1 P14061 1/20 0.56
BCL2L1 Q07817 1/20 0.51
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
HDAC1 Q13547 5/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL8338532 0.86 DYRK1A (0.76) DYRK1ACLK1DYRK1BHSD17B1BCL2L1
SCHEMBL6001663 0.85 CNR2 (0.51) DYRK1ACLK1DYRK1BHSD17B1CNR1
SCHEMBL6001641 0.84 POLB (0.50) DYRK1ACLK1DYRK1BHSD17B1ALDH1A1
SCHEMBL20748215 0.80 HSD17B1 (0.80) DYRK1ACLK1DYRK1BHSD17B1BCL2L1
SCHEMBL23041059 0.79 DYRK1A (0.70) DYRK1ACLK1DYRK1BHSD17B1BCL2L1
SCHEMBL10516290 0.79 DYRK1A (0.70) DYRK1ACLK1DYRK1BHSD17B1BCL2L1
SCHEMBL657185 0.79 DYRK1A (0.70) DYRK1ACLK1DYRK1BHSD17B1BCL2L1
SCHEMBL23041047 0.79 DYRK1A (0.70) DYRK1ACLK1DYRK1BHSD17B1BCL2L1
SCHEMBL28162040 0.79 DYRK1A (0.51) DYRK1ACLK1DYRK1BHSD17B1BCL2L1
SCHEMBL5999605 0.79 DYRK1A (0.59) DYRK1ACLK1DYRK1BHSD17B1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-12-01 US disclosed
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. 2019-08-29 US disclosed
US-9834532-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-12-05 US disclosed
US-9834532-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-12-05 US disclosed
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 US disclosed
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 US disclosed
US-8877803-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2014-11-04 US disclosed
US-8877803-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2014-11-04 US disclosed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 US disclosed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 US disclosed
US-20060142271-A1 Novel lapacho compounds and methods of use thereof MUNSTER, UNIVERSITY OF (DE) 2006-06-29 US disclosed
EP-1551392-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-07-13 EP disclosed
WO-2004026253-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-04-01 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 (5 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-20060142271-A1 Novel lapacho compounds and methods of use thereof XIAP, PIN1, NQO1 DYRK1A 3249/4885CLK1 1883/4885DYRK1B 3609/4885
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B DYRK1A 2328/4885CLK1 2017/4885DYRK1B 2356/4885
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, JAK2 DYRK1A 2489/4885CLK1 1916/4885DYRK1B 2508/4885
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors STAT3, STAT1, JAK2 DYRK1A 2715/4885CLK1 1802/4885DYRK1B 2758/4885
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B DYRK1A 2328/4885CLK1 2017/4885DYRK1B 2356/4885

“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.