SCHEMBL4057334

SCHEMBL4057334

CCC(Br)c1nc2snc(C)c2c(=O)n1Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
KIF23 Q02241 1/20 0.42
MAPT P10636 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
PDE1A P54750 1/20 0.35

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
SCHEMBL4060564 0.88 KIF11 (0.46) KIF11KIF23MAPTRXFP1THRB
SCHEMBL3868894 0.88 KIF11 (0.56) KIF11KIF23MAPTKDM4EHPGD
SCHEMBL4066692 0.84 KIF11 (0.48) KIF11KIF23MAPTRXFP1THRB
SCHEMBL4060770 0.81 MAPT (0.46) KIF11KIF23MAPTRXFP1THRB
SCHEMBL4066139 0.80 MAPT (0.43) KIF11KIF23MAPTRXFP1THRB
SCHEMBL5316296 0.79 MAPT (0.40) KIF11KIF23MAPTRXFP1THRB
SCHEMBL4039113 0.76 KIF11 (0.47) KIF11KIF23MAPTRXFP1KDM4E
SCHEMBL4060625 0.75 KIF11 (0.41) KIF11KIF23MAPTTHRBALDH1A1
SCHEMBL3865819 0.75 KIF11 (0.84) KIF11KIF23
SCHEMBL3863595 0.75 KIF11 (0.84) KIF11KIF23

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 US disclosed
US-20060041128-A1 Selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US 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 (4 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-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof SDHA, CYP11B2, NQO1 KIF11 2056/4885KIF23 2014/4885MAPT 3830/4885
US-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 KIF11 1978/4885KIF23 2194/4885MAPT 4736/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 KIF11 1978/4885KIF23 2194/4885MAPT 4736/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 KIF11 2056/4885KIF23 2014/4885MAPT 3830/4885

“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.