SCHEMBL4039073

SCHEMBL4039073

CC(=C1SC(=O)NC1=O)c1ccc(NCCOc2c(-c3ccc(F)cc3)n(C)c3ccccc3c2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
MAPK1 P28482 1/20 0.35
BRD4 O60885 3/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.32
CYP2C19 P33261 1/20 0.32
WDR5 P61964 1/20 0.32
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
PKM P14618 1/20 0.31
PARP1 P09874 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL5044348 1.00 POLB (0.35) POLBMAPK1BRD4NPSR1HSD17B10
SCHEMBL5045164 0.90 KDM4E (0.36) POLBMAPK1BRD4NPSR1HSD17B10
SCHEMBL4036673 0.90 KDM4E (0.36) POLBMAPK1BRD4NPSR1HSD17B10
SCHEMBL4042290 0.89 KDM4E (0.36) POLBMAPK1BRD4NPSR1HSD17B10
SCHEMBL4042288 0.89 KDM4E (0.36) POLBMAPK1BRD4NPSR1HSD17B10
SCHEMBL5044656 0.85 BRD4 (0.36) POLBMAPK1BRD4NPSR1HSD17B10
SCHEMBL5044658 0.85 BRD4 (0.36) POLBMAPK1BRD4NPSR1HSD17B10
SCHEMBL4208245 0.84 BRD4 (0.42) POLBMAPK1BRD4NPSR1HSD17B10
SCHEMBL5039545 0.84 BRD4 (0.36) BRD4NPSR1KDM4EKMT2AMEN1
SCHEMBL5039547 0.84 BRD4 (0.36) BRD4NPSR1KDM4EKMT2AMEN1

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-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed
WO-2005040163-A1 HETEROCYCLIC COMPOUNDS THAT BLOCK THE EFFECTS OF ADVANCED GLYCATION END PRODUCTS (AGE) DR. REDDY'S LABORATORIES LTD (IN) 2005-05-06 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 POLB 3463/4885MAPK1 183/4885BRD4 784/4885

“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.